CIESC Journal ›› 2018, Vol. 69 ›› Issue (1): 156-165.DOI: 10.11949/j.issn.0438-1157.20171214
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ZHANG Lin, SUN Yan
Received:
2017-09-05
Revised:
2017-10-24
Online:
2018-01-05
Published:
2018-01-05
Contact:
10.11949/j.issn.0438-1157.20171214
Supported by:
supported by the National Natural Science Foundation of China (21236005, 21376173, 91534119, 21621004) and the Innovation Foundation of Tianjin University.
张麟, 孙彦
通讯作者:
孙彦
基金资助:
国家自然科学基金项目(21236005,21376173,91534119,21621004);天津大学自主创新基金。
CLC Number:
ZHANG Lin, SUN Yan. Molecular simulation on interfacial behaviors of protein at chromatographic surfa[J]. CIESC Journal, 2018, 69(1): 156-165.
张麟, 孙彦. 蛋白质色谱界面行为的分子模拟[J]. 化工学报, 2018, 69(1): 156-165.
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[1] | YU L L, ZHANG L, SUN Y. Protein behavior at surfaces:orientation, conformational transitions and transport[J]. Journal of Chromatography A, 2015, 1382:118-134. |
[2] | SUN Y, SHI Q H, ZHANG L, et al. Adsorption and Chromatography[M]. 2nd ed. Elsevier, 2011:665-679. |
[3] | ZHANG L, SUN Y. Molecular simulation of adsorption and its implications to protein chromatography:a review[J]. Biochemical Engineering Journal, 2010, 48(3):408-415. |
[4] | HANKE A T, OTTENS M. Purifying biopharmaceuticals:knowledge-based chromatographic process development[J]. Trends in Biotechnology, 2014, 32(4):210-220. |
[5] | YANO Y F. Kinetics of protein unfolding at interfaces[J]. Journal of Physics-Condensed Matter, 2012, 24(50310150):16. |
[6] | KARPLUS M. Molecular dynamics of biological macromolecules:a brief history and perspective[J]. Biopolymers, 2003, 68(3):350-358. |
[7] | KARPLUS M, MCCAMMON J A. Molecular dynamics simulations of biomolecules[J]. Nature Structural Biology, 2002, 9(9):646-652. |
[8] | BRATKO D, CELLMER T, PRAUSNITZ J M, et al. Molecular simulation of protein aggregation[J]. Biotechnology and Bioengineering, 2007, 96(1):1-8. |
[9] | EUSTON S R. Computer simulation of proteins:adsorption, gelation and self-association[J]. Current Opinion in Colloid & Interface Science, 2004, 9(5):321-327. |
[10] | OZBOYACI M, KOKH D B, CORNI S, et al. Modeling and simulation of protein-surface interactions:achievements and challenges[J]. Quarterly Reviews of Biophysics, 2016, 49:1-45. |
[11] | RABE M, VERDES D, SEEGER S. Understanding protein adsorption phenomena at solid surfaces[J]. Advances in Colloid and Interface Science, 2011, 162(1/2):87-106. |
[12] | DISMER F, PETZOLD M, HUBBUCH J. Effects of ionic strength and mobile phase pH on the binding orientation of lysozyme on different ion-exchange adsorbents[J]. Journal of Chromatography A, 2008, 1194(1):11-21. |
[13] | DISMER F, HUBBUCH J. 3D structure-based protein retention prediction for ion-exchange chromatography[J]. Journal of Chromatography A, 2010, 1217(8):1343-1353. |
[14] | DISMER F, HUBBUCH J. A novel approach to characterize the binding orientation of lysozyme on ion-exchange resins[J]. Journal of Chromatography A, 2007, 1149(2):312-320. |
[15] | STEUDLE A, PLEISS J. Modelling of lysozyme binding to a cation exchange surface at atomic detail:the role of flexibility[J]. Biophysical Journal, 2011, 100(12):3016-3024. |
[16] | FREED A S, CRAMER S M. Protein-surface interaction maps for ion-exchange chromatography[J]. Langmuir, 2011, 27(7):3561-3568. |
[17] | CHUNG W K, HOU Y, FREED A, et al. Investigation of protein binding affinity and preferred orientations in ion exchange systems using a homologous protein library[J]. Biotechnology and Bioengineering, 2009, 102(3):869-881. |
[18] | CHUNG W K, HOLSTEIN M A, FREED A S, et al. Ion exchange chromatographic behavior of a homologous cytochrome C variant library obtained by controlled succinylation[J]. Separation Science and Technology, 2010, 45(15):2144-2152. |
[19] | LANG K M H, KITTELINANN J, DUERR C, et al. A comprehensive molecular dynamics approach to protein retention modeling in ion exchange chromatography[J]. Journal of Chromatography A, 2015, 1381:184-193. |
[20] | LANG K M H, KITTELMANN J, PILGRAM F, et al. Custom-tailored adsorbers:a molecular dynamics study on optimal design of ion exchange chromatography material[J]. Journal of Chromatography A, 2015, 1413:60-67. |
[21] | LIANG J, FIEG G, KEIL F J, et al. Adsorption of proteins onto ion-exchange chromatographic media:a molecular dynamics study[J]. Industrial & Engineering Chemistry Research, 2012, 51(49):16049-16058. |
[22] | MAKRODIMITRIS K, FERNANDEZ E J, WOOLF T B, et al. Mesoscopic simulation of adsorption of peptides in a hydrophobic chromatography system[J]. Analytical Chemistry, 2005, 77(5):1243-1252. |
[23] | ZHANG L, ZHAO G F, SUN Y. Molecular insight into protein conformational transition in hydrophobic charge induction chromatography:a molecular dynamics simulation[J]. Journal of Physical Chemistry B, 2009, 113(19):6873-6880. |
[24] | ZHANG L, ZHAO G F, SUN Y. Effects of ligand density on hydrophobic charge induction chromatography:molecular dynamics simulation[J]. Journal of Physical Chemistry B, 2010, 114(6):2203-2211. |
[25] | ZHANG L, BAI S, SUN Y. Molecular dynamics simulation of the effect of ligand homogeneity on protein behavior in hydrophobic charge induction chromatography[J]. Journal of Molecular Graphics and Modelling, 2010, 28(8):863-869. |
[26] | ZHANG L, ZHAO G F, SUN Y. Molecular dynamics simulation and experimental validation of the effect of pH on protein desorption in hydrophobic charge induction chromatography[J]. Molecular Simulation, 2010, 36(13):1096-1103. |
[27] | ZHANG L, SUN Y. Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics simulations[J]. Frontiers of Chemical Science and Engineering, 2013, 7(4):456-463. |
[28] | CHUNG W K, FREED A S, HOLSTEIN M A, et al. Evaluation of protein adsorption and preferred binding regions in multimodal chromatography using NMR[J]. Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(39):16811-16816. |
[29] | CHUNG W K, HOU Y, HOLSTEIN M, et al. Investigation of protein binding affinity in multimodal chromatographic systems using a homologous protein library[J]. Journal of Chromatography A, 2010, 1217(2):191-198. |
[30] | HOLSTEIN M A, CHUNG W K, PARIMAL S, et al. Probing multimodal ligand binding regions on ubiquitin using nuclear magnetic resonance, chromatography, and molecular dynamics simulations[J]. Journal of Chromatography A, 2012, 1229:113-120. |
[31] | CHUNG W K, EVANS S T, FREED A S, et al. Utilization of lysozyme charge ladders to examine the effects of protein surface charge distribution on binding affinity in ion exchange systems[J]. Langmuir, 2010, 26(2):759-768. |
[32] | FREED A S, GARDE S, CRAMER S M. Molecular simulations of multimodal ligand-protein binding:elucidation of binding sites and correlation with experiments[J]. Journal of Physical Chemistry B, 2011, 115(45):13320-13327. |
[33] | PARIMAL S, GARDE S, CRAMER S M. Interactions of multimodal ligands with proteins:insights into selectivity using molecular dynamics simulations[J]. Langmuir, 2015, 31(27):7512-7523. |
[34] | PARIMAL S, GARDE S, CRAMER S M. Effect of guanidine and arginine on protein-ligand interactions in multimodal cation-exchange chromatography[J]. Biotechnology Progress, 2017, 33(2):435-447. |
[35] | LU H L, LIN D Q, GAO D, et al. Evaluation of immunoglobulin adsorption on the hydrophobic charge-induction resins with different ligand densities and pore sizes[J]. Journal of Chromatography A, 2013, 1278:61-68. |
[36] | LIN D Q, TONG H F, WANG H Y, et al. Molecular insight into the ligand-IgG interactions for 4-mercaptoethyl-pyridine based hydrophobic charge-induction chromatography[J]. Journal of Physical Chemistry B, 2012, 116(4):1393-1400. |
[37] | LIN D Q, TONG H F, WANG H Y, et al. Molecular mechanism of hydrophobic charge-induction chromatography:interactions between the immobilized 4-mercaptoethyl-pyridine ligand and IgG[J]. Journal of Chromatography A, 2012, 1260:143-153. |
[38] | TONG H, CAVALLOTTI C, YAO S, et al. Molecular insight into protein binding orientations and interaction modes on hydrophobic charge-induction resin[J]. Journal of Chromatography A, 2017, 1512:34-42. |
[39] | WANG R, LIN D, CHU W, et al. New tetrapeptide ligands designed for antibody purification with biomimetic chromatography:molecular simulation and experimental validation[J]. Biochemical Engineering Journal, 2016, 114:194-204. |
[40] | YU G, LIU J, ZHOU J. Mesoscopic coarse-grained simulations of hydrophobic charge induction chromatography (HCIC) for protein purification[J]. AIChE Journal, 2015, 61(6):2035-2047. |
[41] | YANG Y, GENG X D. Mixed-mode chromatography and its applications to biopolymers[J]. Journal of Chromatography A, 2011, 1218(49SI):8813-8825. |
[42] | ZHAO G, DONG X, SUN Y. Ligands for mixed-mode protein chromatography:principles, characteristics and design[J]. Journal of Biotechnology, 2009, 144(1):3-11. |
[43] | DAI L, LI W, SUN F, et al. A strategy of designing the ligand of antibody affinity chromatography based on molecular dynamics simulation[J]. Journal of Chromatography A, 2016, 1463:81-89. |
[44] | LAPELOSA M, PATAPOFF T W, ZARRAGA I E. Modeling of protein-anion exchange resin interaction for the human growth hormone charge variants[J]. Biophysical Chemistry, 2015, 207:1-6. |
[45] | BASCONI J E, CARTA G, SHIRTS M R. Effects of polymer graft properties on protein adsorption and transport in ion exchange chromatography:a multiscale modeling study[J]. Langmuir, 2015, 31(14):4176-4187. |
[46] | SALVALAGLIO M, PALONI M, GUELAT B, et al. A two level hierarchical model of protein retention in ion exchange chromatography[J]. Journal of Chromatography A, 2015, 1411:50-62. |
[47] | HIRANO A, MARUYAMA T, SHIRAKI K, et al. A study of the small-molecule system used to investigate the effect of arginine on antibody elution in hydrophobic charge-induction chromatography[J]. Protein Expression and Purification, 2017, 129:44-52. |
[48] | HIRANO A, ARAKAWA T, KAMEDA T. Effects of arginine on multimodal anion exchange chromatography[J]. Protein Expression and Purification, 2015, 116:105-112. |
[49] | LIU J, PENG C, YU G, et al. Molecular simulation study of feruloyl esterase adsorption on charged surfaces:effects of surface charge density and ionic strength[J]. Langmuir, 2015, 31(39):10751-10763. |
[50] | KUBIAK-OSSOWSKA K, MULHERAN P A. Multiprotein interactions during surface adsorption:a molecular dynamics study of lysozyme aggregation at a charged solid surface[J]. Journal of Physical Chemistry B, 2011, 115(28):8891-8900. |
[51] | LIANG J, FIEG G, JAKOBTORWEIHEN S. Molecular dynamics simulations of a binary protein mixture adsorption onto ion-exchange adsorbent[J]. Industrial & Engineering Chemistry Research, 2015, 54(10):2794-2802. |
[52] | LIANG J, FIEG G, JAKOBTORWEIHEN S. Ion-exchange adsorption of proteins:experiments and molecular dynamics simulations[J]. Chemie Ingenieur Technik, 2015, 87(7):903-909. |
[53] | RAFFAINI G, GANAZZOLI F. Sequential adsorption of proteins and the surface modification of biomaterials:a molecular dynamics study[J]. Journal of Materials Science-Materials in Medicine, 2007, 18(2):309-316. |
[54] | 白姝, 李浩, 张麟. 静电排斥表面诱导溶菌酶分子站立[J]. 物理化学学报, 2013, 29(4):849-857. BAI S, LI H, ZHANG L. Standing orientation of lysozymes induced by electrostatically repulsive surface[J]. Acta Physico-Chimica Sinica, 2013, 29(4):849-857. |
[55] | WANG G, DONG X, SUN Y. Ion-exchange resins greatly facilitate refolding of like-charged proteins at high concentrations[J]. Biotechnology and Bioengineering, 2011, 108(5):1068-1077. |
[56] | DUAN L, LIU X, ZHANG J Z. Interaction entropy:a new paradigm for highly efficient and reliable computation of protein-ligand binding free energy[J]. Journal of the American Chemical Society, 2016, 138(17):5722-5728. |
[57] | FEARS K P, SIVARAMAN B, POWELL G L, et al. Probing the conformation and orientation of adsorbed enzymes using side-chain modification[J]. Langmuir, 2009, 25(16):9319-9327. |
[58] | GRAY J J. The interaction of proteins with solid surfaces[J]. Current Opinion in Structural Biology, 2004, 14(1):110-115. |
[59] | CANCHI D R, GARCIA A E. Cosolvent effects on protein stability[J]. Annual Review of Physical Chemistry, 2013, 64:273-293. |
[60] | ENGLAND J L, HARAN G. Role of solvation effects in protein denaturation:from thermodynamics to single molecules and back[J]. Annual Review of Physical Chemistry, 2011, 62:257-277. |
[61] | BENNION B J, DAGGETT V. The molecular basis for the chemical denaturation of proteins by urea[J]. Proceedings of the National Academy of Sciences of the United States of America, 2003, 100(9):5142-5147. |
[62] | BENEDEK K, DONG S, KARGER B L. Kinetics of unfolding of proteins on hydrophobic surfaces in reversed-phase liquid chromatography.[J]. Journal of Chromatography, 1984, 317:227-243. |
[63] | LIN S W, OROSZLAN P, KARGER B L. Effect of metal ions on the unfolding kinetics of alpha-lactalbumin on weakly hydrophobic surfaces.[J]. Journal of Chromatography, 1991, 536(1/2):17-30. |
[64] | MCNAY J L, FERNANDEZ E J. How does a protein unfold on a reversed-phase liquid chromatography surface?[J]. Journal of Chromatography A, 1999, 849(1):135-148. |
[65] | GOSPODAREK A M, SMATLAK M E, O'CONNELL J P, et al. Protein stability and structure in HIC:hydrogen exchange experiments and corex calculations[J]. Langmuir, 2011, 27(1):286-295. |
[66] | JUNGBAUER A, MACHOLD C, HAHN R. Hydrophobic interaction chromatography of proteins(Ⅲ):Unfolding of proteins upon adsorption[J]. Journal of Chromatography A, 2005, 1079(1/2):221-228. |
[67] | UEBERBACHER R, RODLER A, HAHN R, et al. Hydrophobic interaction chromatography of proteins:thermodynamic analysis of conformational changes[J]. Journal of Chromatography A, 2010, 1217(2):184-190. |
[68] | EUSTON S R, HUGHES P, NASER M A, et al. Comparison of the adsorbed conformation of barley lipid transfer protein at the decane-water and vacuum-water interface:a molecular dynamics simulation[J]. Biomacromolecules, 2008, 9(5):1443-1453. |
[69] | ZHANG L, LU D N, LIU Z. Dynamic control of protein conformation transition in chromatographic separation based on hydrophobic interactions:molecular dynamics simulation[J]. Journal of Chromatography A, 2009, 1216(12):2483-2490. |
[70] | LIU H, DU W J, DONG X Y, et al. Integrative refolding and purification of histidine-tagged protein by like-charge facilitated refolding and metal-chelate affinity adsorption[J]. Journal of Chromatography A, 2014, 1344:59-65. |
[71] | BAI Q, KONG Y, GENG X D. Studies on the refolding of reduced-denaturated insulin with high performance hydrophobic interaction chromatography[J]. Chemical Journal of Chinese Universities, 2002, 23(8):1483-1488. |
[72] | GENG X P, ZHANG H F, WANG B H, et al. Calorimetric determination of enthalpies of lysozyme folding at a liquid-solid interface[J]. Journal of Thermal Analysis and Calorimetry, 2005, 82(1):193-199. |
[73] | GENG X P, WU Y N, SONG J R, et al. Effect of salt concentrations on the displacement adsorption enthalpies of denatured protein folding at a moderately hydrophobic surface[J]. Journal of Thermal Analysis and Calorimetry, 2006, 85(3):593-600. |
[74] | JONES T T, FERNANDEZ E J. alpha-Lactalbumin tertiary structure changes on hydrophobic interaction chromatography surfaces[J]. Journal of Colloid and Interface Science, 2003, 259(1):27-35. |
[75] | TAO Y, CARTA G, FERREIRA G, et al. Adsorption of deamidated antibody variants on macroporous and dextran-grafted cation exchangers (Ⅱ):Adsorption kinetics[J]. Journal of Chromatography A, 2011, 1218(11):1530-1537. |
[76] | HONG Y, LIU N, WEI W, et al. Protein adsorption to poly(ethylenimine)-modified Sepharose FF (Ⅲ):Comparison between different proteins[J]. Journal of Chromatography A, 2014, 1342:30-36. |
[77] | YU L, SUN Y. Protein adsorption to poly(ethylenimine)-modified Sepharose FF (Ⅱ):Effect of ionic strength[J]. Journal of Chromatography A, 2013, 1305:85-93. |
[78] | YU L, TAO S, DONG X, et al. Protein adsorption to poly(ethylenimine)-modified Sepharose FF (Ⅰ):A critical ionic capacity for drastically enhanced capacity and uptake kinetics[J]. Journal of Chromatography A, 2013, 1305:76-84. |
[79] | XUE A, YU L, SUN Y. Implications from protein uptake kinetics onto dextran-grafted Sepharose FF coupled with ion exchange and affinity ligands[J]. Chinese Journal of Chemical Engineering, 2017, 25(7):906-910. |
[80] | 余林玲, 孙彦. 接枝聚合物配基的蛋白质吸附层析[J]. 化工学报, 2016, 67(1):140-151. YU L L, SUN Y. Adsorptive protein chromatography with grafted polymeric ligands[J]. CIESC Journal, 2016, 67(1):140-151. |
[81] | FOUQUEAU A, MEUWLY M, BEMISH R J. Adsorption of acridine orange at a C-8,C-18/water/acetonitrile interface[J]. Journal of Physical Chemistry B, 2007, 111(34):10208-10216. |
[82] | BRAUN J, FOUQUEAU A, BEMISH R J, et al. Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations[J]. Physical Chemistry Chemical Physics, 2008, 10(32):4765-4777. |
[83] | LI X, MCGUFFIN V L. Theoretical evaluation of methods for extracting retention factors and kinetic rate constants in liquid chromatography[J]. Journal of Chromatography A, 2008, 1203(1):67-80. |
[84] | MCGUFFIN V L. Stochastic simulation as a unified approach to separation science[J]. Analytical and Bioanalytical Chemistry, 2005, 381(1):106-109. |
[85] | KROUSKOP P E, MCGUFFIN V L. Stochastic simulation of the partition mechanism with a heterogeneous surface phase[J]. Journal of Chromatography A, 2002, 959(1/2):49-64. |
[86] | MCGUFFIN V L, KROUSKOP P E, WU P R. Stochastic simulation of the partition mechanism under diffusion-limited conditions in chromatography and electrochromatography[J]. Journal of Chromatography A, 1998, 828(1/2):37-50. |
[87] | BASCONI J E, CARTA G, SHIRTS M R. Multiscale modeling of protein adsorption and transport in macroporous and polymer-grafted ion exchangers[J]. AIChE Journal, 2014, 60(11):3888-3901.]. Langmuir, 2011, 27(7):3561-3568. |
[17] | CHUNG W K, HOU Y, FREED A, et al. Investigation of protein binding affinity and preferred orientations in ion exchange systems using a homologous protein library[J]. Biotechnology and Bioengineering, 2009, 102(3):869-881. |
[18] | CHUNG W K, HOLSTEIN M A, FREED A S, et al. Ion Exchange chromatographic behavior of a homologous cytochrome C variant library obtained by controlled succinylation[J]. Separation Science and Technology, 2010, 45(15):2144-2152. |
[19] | LANG K M H, KITTELINANN J, DUERR C, et al. A comprehensive molecular dynamics approach to protein retention modeling in ion exchange chromatography[J]. Journal of Chromatography A, 2015, 1381:184-193. |
[20] | LANG K M H, KITTELMANN J, PILGRAM F, et al. Custom-tailored adsorbers:A molecular dynamics study on optimal design of ion exchange chromatography material[J]. Journal of Chromatography A, 2015, 1413:60-67. |
[21] | LIANG J, FIEG G, KEIL F J, et al. Adsorption of proteins onto ion-exchange chromatographic media:a molecular dynamics study[J]. Industrial & Engineering Chemistry Research, 2012, 51(49):16049-16058. |
[22] | MAKRODIMITRIS K, FERNANDEZ E J, WOOLF T B, et al. Mesoscopic simulation of adsorption of peptides in a hydrophobic chromatography system[J]. Analytical Chemistry, 2005, 77(5):1243-1252. |
[23] | ZHANG L, ZHAO G F, SUN Y. Molecular insight into protein conformational transition in hydrophobic charge induction chromatography:a molecular dynamics simulation[J]. Journal of Physical Chemistry B, 2009, 113(19):6873-6880. |
[24] | ZHANG L, ZHAO G F, SUN Y. Effects of ligand density on hydrophobic charge induction chromatography:Molecular dynamics simulation[J]. Journal of Physical Chemistry B, 2010, 114(6):2203-2211. |
[25] | ZHANG L, BAI S, SUN Y. Molecular dynamics simulation of the effect of ligand homogeneity on protein behavior in hydrophobic charge induction chromatography[J]. Journal of Molecular Graphics and Modelling, 2010, 28(8):863-869. |
[26] | ZHANG L, ZHAO G F, SUN Y. Molecular dynamics simulation and experimental validation of the effect of pH on protein desorption in hydrophobic charge induction chromatography[J]. Molecular Simulation, 2010, 36(13):1096-1103. |
[27] | ZHANG L, SUN Y. Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics simulations[J]. Frontiers of Chemical Science and Engineering, 2013, 7(4):456-463. |
[28] | CHUNG W K, FREED A S, HOLSTEIN M A, et al. Evaluation of protein adsorption and preferred binding regions in multimodal chromatography using NMR[J]. Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(39):16811-16816. |
[29] | CHUNG W K, HOU Y, HOLSTEIN M, et al. Investigation of protein binding affinity in multimodal chromatographic systems using a homologous protein library[J]. Journal of Chromatography A, 2010, 1217(2):191-198. |
[30] | HOLSTEIN M A, CHUNG W K, PARIMAL S, et al. Probing multimodal ligand binding regions on ubiquitin using nuclear magnetic resonance, chromatography, and molecular dynamics simulations[J]. Journal of Chromatography A, 2012, 1229:113-120. |
[31] | CHUNG W K, EVANS S T, FREED A S, et al. Utilization of lysozyme charge ladders to examine the effects of protein surface charge distribution on binding affinity in ion exchange systems[J]. Langmuir, 2010, 26(2):759-768. |
[32] | FREED A S, GARDE S, CRAMER S M. Molecular simulations of multimodal ligand-protein binding:elucidation of binding sites and correlation with experiments[J]. Journal of Physical Chemistry B, 2011, 115(45):13320-13327. |
[33] | PARIMAL S, GARDE S, CRAMER S M. Interactions of multimodal ligands with proteins:insights into selectivity using molecular dynamics simulations[J]. Langmuir, 2015, 31(27):7512-7523. |
[34] | PARIMAL S, GARDE S, CRAMER S M. Effect of guanidine and arginine on protein-ligand interactions in multimodal cation-exchange chromatography[J]. Biotechnology Progress, 2017, 33(2):435-447. |
[35] | LU H L, LIN D Q, GAO D, et al. Evaluation of immunoglobulin adsorption on the hydrophobic charge-induction resins with different ligand densities and pore sizes[J]. Journal of Chromatography A, 2013, 1278:61-68. |
[36] | LIN D Q, TONG H F, WANG H Y, et al. Molecular insight into the ligand-IgG interactions for 4-mercaptoethyl-pyridine based hydrophobic charge-induction chromatography[J]. Journal of Physical Chemistry B, 2012, 116(4):1393-1400. |
[37] | LIN D Q, TONG H F, WANG H Y, et al. Molecular mechanism of hydrophobic charge-induction chromatography:Interactions between the immobilized 4-mercaptoethyl-pyridine ligand and IgG[J]. Journal of Chromatography A, 2012, 1260:143-153. |
[38] | TONG H, CAVALLOTTI C, YAO S, et al. Molecular insight into protein binding orientations and interaction modes on hydrophobic charge-induction resin[J]. Journal of Chromatography A, 2017, 1512:34-42. |
[39] | WANG R, LIN D, CHU W, et al. New tetrapeptide ligands designed for antibody purification with biomimetic chromatography:Molecular simulation and experimental validation[J]. Biochemical Engineering Journal, 2016, 114:194-204. |
[40] | YU G, LIU J, ZHOU J. Mesoscopic coarse-grained simulations of hydrophobic charge induction chromatography (HCIC) for protein purification[J]. AIChE Journal, 2015, 61(6):2035-2047. |
[41] | YANG Y, GENG X D. Mixed-mode chromatography and its applications to biopolymers[J]. Journal of Chromatography A, 2011, 1218(49SI):8813-8825. |
[42] | ZHAO G, DONG X, SUN Y. Ligands for mixed-mode protein chromatography:Principles, characteristics and design[J]. Journal of Biotechnology, 2009, 144(1):3-11. |
[43] | DAI L, LI W, SUN F, et al. A strategy of designing the ligand of antibody affinity chromatography based on molecular dynamics simulation[J]. Journal of Chromatography A, 2016, 1463:81-89. |
[44] | LAPELOSA M, PATAPOFF T W, ZARRAGA I E. Modeling of protein-anion exchange resin interaction for the human growth hormone charge variants[J]. Biophysical Chemistry, 2015, 207:1-6. |
[45] | BASCONI J E, CARTA G, SHIRTS M R. Effects of polymer graft properties on protein adsorption and transport in ion exchange chromatography:a multiscale modeling study[J]. Langmuir, 2015, 31(14):4176-4187. |
[46] | SALVALAGLIO M, PALONI M, GUELAT B, et al. A two level hierarchical model of protein retention in ion exchange chromatography[J]. Journal of Chromatography A, 2015, 1411:50-62. |
[47] | HIRANO A, MARUYAMA T, SHIRAKI K, et al. A study of the small-molecule system used to investigate the effect of arginine on antibody elution in hydrophobic charge-induction chromatography[J]. Protein Expression and Purification, 2017, 129:44-52. |
[48] | HIRANO A, ARAKAWA T, KAMEDA T. Effects of arginine on multimodal anion exchange chromatography[J]. Protein Expression and Purification, 2015, 116:105-112. |
[49] | LIU J, PENG C, YU G, et al. Molecular simulation study of feruloyl esterase adsorption on charged surfaces:effects of surface charge density and ionic strength[J]. Langmuir, 2015, 31(39):10751-10763. |
[50] | KUBIAK-OSSOWSKA K, MULHERAN P A. Multiprotein interactions during surface adsorption:a molecular dynamics study of lysozyme aggregation at a charged solid surface[J]. Journal of Physical Chemistry B, 2011, 115(28):8891-8900. |
[51] | LIANG J, FIEG G, JAKOBTORWEIHEN S. Molecular dynamics simulations of a binary protein mixture adsorption onto ion-exchange adsorbent[J]. Industrial & Engineering Chemistry Research, 2015, 54(10):2794-2802. |
[52] | LIANG J, FIEG G, JAKOBTORWEIHEN S. Ion-exchange adsorption of proteins:experiments and molecular dynamics simulations[J]. Chemie Ingenieur Technik, 2015, 87(7):903-909. |
[53] | RAFFAINI G, GANAZZOLI F. Sequential adsorption of proteins and the surface modification of biomaterials:A molecular dynamics study[J]. Journal of Materials Science-Materials in Medicine, 2007, 18(2):309-316. |
[54] | 白姝,李浩,张麟. 静电排斥表面诱导溶菌酶分子站立. 物理化学学报, 2013, 29(4):849-857. BAI S, LI H, ZHANG L. Standing orientation of lysozymes induced by electrostatically repulsive surface[J]. Acta Physico-Chimica Sinica, 2013, 29(4):849-857. |
[55] | WANG G, DONG X, SUN Y. Ion-exchange resins greatly facilitate refolding of like-charged proteins at high concentrations[J]. Biotechnology and Bioengineering, 2011, 108(5):1068-1077. |
[56] | DUAN L, LIU X, ZHANG J Z. Interaction entropy:a new paradigm for highly efficient and reliable computation of protein-ligand binding free energy[J]. Journal of the American Chemical Society, 2016, 138(17):5722-8. |
[57] | FEARS K P, SIVARAMAN B, POWELL G L, et al. Probing the conformation and orientation of adsorbed enzymes using side-chain modification[J]. Langmuir, 2009, 25(16):9319-9327. |
[58] | GRAY J J. The interaction of proteins with solid surfaces[J]. Current Opinion in Structural Biology, 2004, 14(1):110-115. |
[59] | CANCHI D R, GARCIA A E. Cosolvent effects on protein stability[J]. Annual Review of Physical Chemistry, 2013, 64:273-293. |
[60] | ENGLAND J L, HARAN G. Role of solvation effects in protein denaturation:from thermodynamics to single molecules and back[J]. Annual Review of Physical Chemistry, 2011, 62:257-277. |
[61] | BENNION B J, DAGGETT V. The molecular basis for the chemical denaturation of proteins by urea[J]. Proceedings of the National Academy of Sciences of the United States of America, 2003, 100(9):5142-5147. |
[62] | BENEDEK K, DONG S, KARGER B L. Kinetics of unfolding of proteins on hydrophobic surfaces in reversed-phase liquid chromatography.[J]. Journal of Chromatography, 1984, 317:227-243. |
[63] | LIN S W, OROSZLAN P, KARGER B L. Effect of metal ions on the unfolding kinetics of alpha-lactalbumin on weakly hydrophobic surfaces.[J]. Journal of Chromatography, 1991, 536(1-2):17-30. |
[64] | MCNAY J L, FERNANDEZ E J. How does a protein unfold on a reversed-phase liquid chromatography surface?[J]. Journal of Chromatography A, 1999, 849(1):135-148. |
[65] | GOSPODAREK A M, SMATLAK M E, O'CONNELL J P, et al. Protein stability and structure in HIC:hydrogen exchange experiments and corex calculations[J]. Langmuir, 2011, 27(1):286-295. |
[66] | JUNGBAUER A, MACHOLD C, HAHN R. Hydrophobic interaction chromatography of proteins(Ⅲ):Unfolding of proteins upon adsorption[J]. Journal of Chromatography A, 2005, 1079(1-2):221-228. |
[67] | UEBERBACHER R, RODLER A, HAHN R, et al. Hydrophobic interaction chromatography of proteins:Thermodynamic analysis of conformational changes[J]. Journal of Chromatography A, 2010, 1217(2):184-190. |
[68] | EUSTON S R, HUGHES P, NASER M A, et al. Comparison of the adsorbed conformation of barley lipid transfer protein at the decane-water and vacuum-water interface:A molecular dynamics simulation[J]. Biomacromolecules, 2008, 9(5):1443-1453. |
[69] | ZHANG L, LU D N, LIU Z. Dynamic control of protein conformation transition in chromatographic separation based on hydrophobic interactions:Molecular dynamics simulation[J]. Journal of Chromatography A, 2009, 1216(12):2483-2490. |
[70] | LIU H, DU W J, DONG X Y, et al. Integrative refolding and purification of histidine-tagged protein by like-charge facilitated refolding and metal-chelate affinity adsorption[J]. Journal of Chromatography A, 2014, 1344:59-65. |
[71] | BAI Q, KONG Y, GENG X D. Studies on the refolding of reduced-denaturated insulin with high performance hydrophobic interaction chromatography[J]. Chemical Journal of Chinese Universities-Chinese, 2002, 23(8):1483-1488. |
[72] | GENG X P, ZHANG H F, WANG B H, et al. Calorimetric determination of enthalpies of lysozyme folding at a liquid-solid interface[J]. Journal of Thermal Analysis and Calorimetry, 2005, 82(1):193-199. |
[73] | GENG X P, WU Y N, SONG J R, et al. Effect of salt concentrations on the displacement adsorption enthalpies of denatured protein folding at a moderately hydrophobic surface[J]. Journal of Thermal Analysis and Calorimetry, 2006, 85(3):593-600. |
[74] | JONES T T, FERNANDEZ E J. alpha-Lactalbumin tertiary structure changes on hydrophobic interaction chromatography surfaces[J]. Journal of Colloid and Interface Science, 2003, 259(1):27-35. |
[75] | TAO Y, CARTA G, FERREIRA G, et al. Adsorption of deamidated antibody variants on macroporous and dextran-grafted cation exchangers (Ⅱ):Adsorption kinetics[J]. Journal of Chromatography A, 2011, 1218(11):1530-1537. |
[76] | HONG Y, LIU N, WEI W, et al. Protein adsorption to poly(ethylenimine)-modified Sepharose FF (Ⅲ):Comparison between different proteins[J]. Journal of Chromatography A, 2014, 1342:30-36. |
[77] | YU L, SUN Y. Protein adsorption to poly(ethylenimine)-modified Sepharose FF (Ⅱ):Effect of ionic strength[J]. Journal of Chromatography A, 2013, 1305:85-93. |
[78] | YU L, TAO S, DONG X, et al. Protein adsorption to poly(ethylenimine)-modified Sepharose FF (I):A critical ionic capacity for drastically enhanced capacity and uptake kinetics[J]. Journal of Chromatography A, 2013, 1305:76-84. |
[79] | XUE A, YU L, SUN Y. Implications from protein uptake kinetics onto dextran-grafted Sepharose FF coupled with ion exchange and affinity ligands[J]. Chinese Journal of Chemical Engineering, 2017, 25(7):906-910. |
[80] | 余林玲,孙彦. 接枝聚合物配基的蛋白质吸附层析. 化工学报, 2016, 67(1):140-151. YU L, SUN Y. Adsorptive protein chromatography with grafted polymeric ligands[J]. CIESC Journal, 2016, 67(1):140-151. |
[81] | FOUQUEAU A, MEUWLY M, BEMISH R J. Adsorption of acridine orange at a C-8,C-18/water/acetonitrile interface[J]. Journal of Physical Chemistry B, 2007, 111(34):10208-10216. |
[82] | BRAUN J, FOUQUEAU A, BEMISH R J, et al. Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations[J]. Physical Chemistry Chemical Physics, 2008, 10(32):4765-4777. |
[83] | LI X, MCGUFFIN V L. Theoretical evaluation of methods for extracting retention factors and kinetic rate constants in liquid chromatography[J]. Journal of Chromatography A, 2008, 1203(1):67-80. |
[84] | MCGUFFIN V L. Stochastic simulation as a unified approach to separation science[J]. Analytical and Bioanalytical Chemistry, 2005, 381(1):106-109. |
[85] | KROUSKOP P E, MCGUFFIN V L. Stochastic simulation of the partition mechanism with a heterogeneous surface phase[J]. Journal of Chromatography A, 2002, 959(1/2):49-64. |
[86] | MCGUFFIN V L, KROUSKOP P E, WU P R. Stochastic simulation of the partition mechanism under diffusion-limited conditions in chromatography and electrochromatography[J]. Journal of Chromatography A, 1998, 828(1-2):37-50. |
[87] | BASCONI J E, CARTA G, SHIRTS M R. Multiscale modeling of protein adsorption and transport in macroporous and polymer-grafted ion exchangers[J]. AIChE Journal, 2014, 60(11):3888-3901. |
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