Thermodynamic description of hofmeister effects on the LCST of thermosensitive polymers

Journal of Physical Chemistry B

Volumn 118, Issue 37, 2014, Pages 10979-10988

  Heyda, Jan ^a   Dzubiella, Joachim ^a,b  

^a HAHN MEITNER INSTITUT   (Germany)

^b HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACRYLIC MONOMERS; CURVE FITTING; HYDRATION; POLYMERS; PROTEINS; SALTS; THERMODYNAMICS;

LOWER CRITICAL SOLUTION TEMPERATURE; NONLINEAR THERMODYNAMICS; POLY (N ISOPROPYLACRYLAMIDE); POLYMER COLLAPSE TRANSITION; PREFERENTIAL INTERACTION; PROTEIN UNFOLDING TRANSITIONS; THERMO-SENSITIVE POLYMER; THERMODYNAMIC DESCRIPTION;

FREE ENERGY;

ACRYLIC ACID RESIN; POLY-N-ISOPROPYLACRYLAMIDE; POLYMER; SOLUTION AND SOLUBILITY; WATER;

CHEMISTRY; SOLUTION AND SOLUBILITY; TEMPERATURE; THEORETICAL MODEL; THERMODYNAMICS;

ACRYLIC RESINS; MODELS, THEORETICAL; POLYMERS; SOLUTIONS; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 84923357433     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5041635     Document Type: Article

References (72)

1. Stuart, M. A. C.; Huck, W. T. S.; Genzer, J.; Müller, M.; Ober, C.; Stamm, M.; Sukhorukov, G. B.; Szleifer, I.; Tsukruk, V. V.; Urban, M.; Winnik, F.; Zauscher, S.; Minko, I. L. S. Emerging Applications of Stimuli-Responsive Polymer Materials Nat. Mater. 2012, 9, 101-113
2. Bajpai, A.; Shukla, S. K.; Bhanu, S.; Kankane, S. Responsive Polymers in Controlled Drug Delivery Prog. Polym. Sci. 2008, 33, 1088-1118
3. Liechty, W.; Kryscio, D.; Slaughter, B.; Peppas, N. Polymers for Drug Delivery Systems Annu. Rev. Chem. Biomol. Eng. 2010, 1, 149-173
4. Gil, E. S.; Hudson, S. M. Stimuli-Reponsive Polymers and Their Bioconjugates Prog. Polym. Sci. 2004, 29, 1173-1222
5. Qiu, L. Y.; Bae, Y. H. Polymer Architecture and Drug Delivery Pharm. Res. 2006, 23, 1-30
6. de las Heras Alarcon, C.; Pennadam, S.; Alexander, C. Stimuli Responsive Polymers for Biomedical Applications Chem. Soc. Rev. 2005, 34, 276-285
7. Soll, S.; Antonietti, M.; Yuan, J. Double Stimuli-Responsive Copolymer Stabilizers for Multiwalled Carbon Nanotubes Macro Lett. 2012, 1, 84-87
8. Wu, S.; Dzubiella, J.; Kaiser, J.; Drechsler, M.; Guo, X.; Ballauff, M.; Lu, Y. Thermosensitive Au-PNIPA Yolk-Shell Nanoparticles with Tunable Selectivity for Catalysis Angew. Chem., Int. Ed. 2012, 51, 2229-2233
9. Roy, D.; Brooks, W. L. A.; Sumerlin, B. S. New Directions in Thermoresponsive Polymers Chem. Soc. Rev. 2013, 42, 7214-7243
10. Schmaljohann, D. Thermo- and pH-Responsive Polymers in Drug Delivery Adv. Drug Delivery Rev. 2006, 58, 1655-1670
11. Lutz, J.-F.; Akdemir, O.; Hoth, A. Point by Point Comparison of two Thermosensitive Polymers Exhibiting a Similar LCST: Is the Age of Poly(NIPAM) over? J. Am. Chem. Soc. 2006, 128, 13046-13047
12. Ruel-Gariepy, E.; Leroux, J.-C. In Situ-Forming Hydrogels-Review of Temperature-Sensitive Systems Eur. J. Pharm. Biopharm. 2004, 58, 409-426
13. Zhang, Y.; Cremer, P. S. Chemistry of Hofmeister Anions and Osmolytes Annu. Rev. Phys. Chem. 2010, 61, 63-83
14. Schild, H. Poly(N-isopropylacrylamide): Experiment, Theory and Application Prog. Polym. Sci. 1992, 17, 163-249
15. Heskins, M.; Guillet, J. E. Solution Properties of Poly(N-isopropylacrylamide) J. Macromol. Sci., Part A: Pure Appl. Chem. 1968, 2, 1441-1455
16. Tiktopulo, E. I.; Uversky, V. N.; Lushik, V. B.; Klenin, S. I.; Bychkova, V. E.; Ptitsyn, O. B. Domain Coil-Globule Transition in Homopolymers Macromolecules 1995, 28, 7519-7524
17. Zhang, Y.; Furyk, S.; Bergbreiter, D.; Cremer, P. Specific Ion Effects on the Water Solubility of Macromolecules: PNIPAM and the Hofmeister Series J. Am. Chem. Soc. 2005, 127, 14505-14510
18. Zhang, Y.; Furyk, S.; Sagle, L. B.; Cho, Y.; Bergbreiter, D. E.; Cremer, P. S. Effects of Hofmeister Anions on the LCST of PNIPAM as a Function of Molecular Weight J. Phys. Chem. C 2007, 111, 8916-8924
19. Mao, H.; Li, C.; Zhang, Y.; Bergbreiter, D.; Cremer, P. Measuring LCSTs by Novel Temperature Gradient Methods: Evidence for Intermolecular Interactions in Mixed Polymer Solutions J. Am. Chem. Soc. 2003, 125, 2850-2851
20. Urry, D. W. Physical Chemistry of Biological Free Energy Transduction As Demonstrated by Elastic Protein-Based Polymers J. Phys. Chem. B 1997, 101, 11007-11028
21. Hofmeister, F. Zur Lehre von der Wirkung der Salze Naunym-Schmiedebergs Archiv Exp. Pathol. Pharmakol. 1888, 23, 247
22. Kunz, W.; Henle, J.; Ninham, B. Zur Lehre von der Wirkung der Salze (About the Science of the Effect of Salts): Franz Hofmeister's Historical Papers Curr. Opin. Colloid Interface Sci. 2004, 9, 19-37
23. Collins, K. Ions from the Hofmeister Series and Osmolytes: Effects on Proteins in Solution and in the Crystallization Process Methods 2004, 34, 300-311
24. Baldwin, R. How Hofmeister Ion Interactions Affect Protein Stability Biophys. J. 1996, 71, 2056-2063
25. Cho, Y.; Zhang, Y.; Christensen, T.; Sagle, L. B.; Chilkoti, A.; Cremer, P. S. Effects of Hofmeister Anions on the Phase Transition Temperature of Elastin-like Polypeptides J. Phys. Chem. B 2008, 112, 13765-13771
26. Rembert, K. B.; Paterova, J.; Heyda, J.; Hilty, C.; Jungwirth, P.; Cremer, P. S. Molecular Mechanisms of Ion-Specific Effects on Proteins J. Am. Chem. Soc. 2012, 134, 10039-10046
27. Heyda, J.; Vincent, J. C.; Tobias, D. J.; Dzubiella, J.; Jungwirth, P. Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations of N-Methylacetamide in Aqueous Salt Solutions J. Phys. Chem. B 2010, 114, 1213-1220
28. Algaer, E. A.; van der Vegt, N. F. A. Hofmeister Ion Interactions with Model Amide Compounds J. Phys. Chem. B 2011, 115, 13781-13787
29. Paterova, J.; Rembert, K. B.; Heyda, J.; Kurra, Y.; Okur, H. I.; Liu, W. R.; Hilty, C.; Cremer, P. S.; Jungwirth, P. Reversal of the Hofmeister Series: Specific Ion Effects on Peptides J. Phys. Chem. B 2013, 117, 8150-8158
30. Kherb, J.; Cremer, P. S. Unpublished results.
31. Greene, R.; Pace, C. Urea and Guanidine-Hydrochloride Denaturation of Ribonuclease, Lysozyme, Alpha-Chymotrypsin, and Beta-Lactoglobulin J. Biol. Chem. 1974, 249, 5388-5393
32. Nandi, P.; Robinson, D. Effects of Salts on Free-Energies of Nonpolar Groups in Model Peptides J. Am. Chem. Soc. 1972, 94, 1308-1315
33. Nandi, P.; Robinson, D. Effects of Salts on Free-Energy of Peptide Group J. Am. Chem. Soc. 1972, 94, 1299-1307
34. Pace, C. N.; Hermans, J. The Stability of Globular Protein Crit. Rev. Biochem. Mol. Biol. 1975, 3, 1-43
35. Schellman, J. Solvent Denaturation Biopolymers 1978, 17, 1305-1322
36. Pierce, V.; Kang, M.; Aburi, M.; Weerasinghe, S.; Smith, P. Recent Applications of Kirkwood-Buff Theory to Biological Systems Cell Biochem. Biophys. 2008, 50, 1-22
37. Baysal, B. M.; Karasz, F. E. Coil-Globule Collapse in Flexible Macromolecules Macromol. Theory Simul. 2003, 12, 627-646
38. Ivanov, V. A.; Paul, W.; Binder, K. Finite Chain Length Effects on the Coil-Globule Transition of Stiff-Chain Macromolecules: A Monte Carlo Simulation J. Chem. Phys. 1998, 109, 5659-5669
39. Maffi, C.; Baiesi, M.; Casetti, L.; Piazza, F.; Rios, P. D. L. First-Order Coil-Globule Transition Driven by Vibrational Entropy Nat. Commun. 2012, 3, 1065
40. Tanford, C. Isothermal Unfolding of Globular Proteins in Aqueous Urea Solutions J. Am. Chem. Soc. 1964, 86, 2050-2059
41. Auton, M.; Holthauzen, L. M. F.; Bolen, D. W. Anatomy of Energetic Changes Accompanying Urea-induced Protein Denaturation Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 15317-15322
42. Ziv, G.; Haran, G. Protein Folding, Protein Collapse, and Tanford's Transfer Model: Lessons from Single-Molecule FRET J. Am. Chem. Soc. 2009, 131, 2942-2947
43. Horinek, D.; Netz, R. R. Can Simulations Quantitatively Predict Peptide Transfer Free Energies to Urea Solutions? Thermodynamic Concepts and Force Field Limitations J. Phys. Chem. A 2011, 115, 6125-6136
44. Hu, C. Y.; Kokubo, H.; Lynch, G. C.; Bolen, D. W.; Pettitt, B. M. Backbone Additivity in the Transfer Model of Protein Solvation Protein Sci. 2010, 1011-1022
45. Ma, L.; Pegram, L.; Record, M. T.; Cui, Q. Preferential Interactions between Small Solutes and the Protein Backbone: A Computational Analysis Biochemistry 2010, 49, 1954-1962
46. Moeser, B.; Horinek, D. Unified Description of Urea Denaturation: Backbone and Side Chains Contribute Equally in the Transfer Model J. Phys. Chem. B 2014, 118, 107-114
47. Liu, Z.; Reddy, G.; O'Brien, E. P.; Thirumalai, D. Collapse Kinetics and Chevron Plots from Simulations of Denaturant-Dependent Folding of Globular Proteins Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 7787-7792
48. Courtenay, E.; Capp, M.; Saecker, R.; Record, M. Thermodynamic Analysis of Interactions between Denaturants and Protein Surface Exposed on Unfolding: Interpretation of Urea and Guanidinium Chloride m-Values and their Correlation with Changes in Accessible Surface Area (ASA) Using Preferential Interaction Coefficients and the Local-Bulk Domain Model Proteins: Struct., Funct., Genet. 2000, 72-85
49. Pegram, L. M.; Wendorff, T.; Erdmann, R.; Shkel, I.; Bellissimo, D.; Felitsky, D. J.; Record, M. T. Why Hofmeister Effects of Many Salts Favor Protein Folding but not DNA Helix Formation Proc. Natl. Acad. Sci. U. S. A. 2010, 107, 7716-7721
50. Record, M. T.; Guinn, E.; Pegram, L.; Capp, M. Introductory Lecture: Interpreting and Predicting Hofmeister Salt Ion and Solute Effects on Biopolymer and Model Processes Using the Solute Partitioning Model Faraday Discuss. 2013, 160, 9-44
51. Guinn, E. J.; Pegram, L. M.; Capp, M. W.; Pollock, M. N.; Record, M. T. Quantifying why Urea is a Protein Denaturant, whereas Glycine Betaine is a Protein Stabilizer Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 16932-16937
52. Kirkwood, J. G.; Buff, F. P. The Statistical Mechanical Theory of Solutions. I J. Chem. Phys. 1951, 19, 774-777
53. Ben-Naim, A. Molecular Theory of Solutions; Oxford University Press: Oxford, UK, 2009.
54. Pegram, L. M.; Record, M. T. Thermodynamic Origin of Hofmeister Ion Effects J. Phys. Chem. B 2008, 112, 9428-9436
55. Dill, K. A. Theory for the Folding and Stability of Globular Proteins Biochemistry 1985, 24, 1501-1509
56. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447
57. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The Missing Term in Effective Pair Potentials J. Phys. Chem. 1987, 91, 6269-6271
58. Tsodikov, O. V.; Record, M. T.; Sergeev, Y. V. Novel Computer Program for Fast Exact Calculation of Accessible and Molecular Surface Areas and Average Surface Curvature J. Comput. Chem. 2002, 23, 600-609
59. Richards, F. Areas, Volumes, Packing, and Protein-Structure Annu. Rev. Biophys. Bioeng. 1977, 6, 151-176
60. Robinson, R. A.; Stokes, R. Electrolyte Solutions; Dover Publications Inc.: Mineola, NY, 2002.
61. Horinek, D.; Netz, R. R. Specific Ion Adsorption at Hydrophobic Solid Surfaces Phys. Rev. Lett. 2007, 99, 226104
62. Florin, E.; Kjellander, R.; Eriksson, J. Salt Effect on the Cloud Point of the Poly(ethylene oxide) + Water-System J. Chem. Soc., Faraday Trans. 1984, 80, 2889-2910
63. Heyda, J.; Muzdalo, A.; Dzubiella, J. Rationalizing Polymer Swelling and Collapse under Attractive Cosolvent Conditions Macromolecules 2013, 46, 1231-1238
64. Crevenna, A. H.; Naredi-Rainer, N.; Lamb, D. C.; Wedlich-Söldner, R.; Dzubiella, J. Effects of Hofmeister Ions on the α-Helical Structure of Proteins Biophys. J. 2012, 102, 907-915
65. Scholtz, J. M.; Baldwin, R. L. Perchlorate-Induced Denaturation of Ribonuclease A: Investigation of Possible Folding Intermediates Biochemistry 1993, 32, 4604-4608
66. Hamada, D.; Kidokoro, S.; Goto, Y. Salt-Induced Formation of the Molten Globule State of Cytochrome C Studied by Isothermal Titration Calorimetry Proc. Natl. Acad. Sci. U. S. A. 1994, 91, 10325-10329
67. Maity, H.; Eftink, M. R. Perchlorate-Induced Conformational Transition of Staphylococcal Nuclease: Evidence for an Equilibrium Unfolding Intermediate Arch. Biochem. Biophys. 2004, 431, 119-123
68. Sagle, L. B.; Zhang, Y.; Litosh, V. A.; Chen, X.; Cho, Y.; Cremer, P. S. Investigating the Hydrogen-Bonding Model of Urea Denaturation J. Am. Chem. Soc. 2009, 131, 9304-9310
69. Rodríguez-Ropero, F.; van der Vegt, N. F. A. Direct Osmolyte-Macromolecule Interactions Confer Entropic Stability to Folded States J. Phys. Chem. B 2014, 118, 7327-7334
70. Mukherji, D.; Kremer, K. Coil-Globule-Coil Transition of PNIPAm in Aqueous Methanol: Coupling All-Atom Simulations to Semi-Grand Canonical Coarse-Grained Reservoir Macromolecules 2013, 46, 9158-9163
71. Kurut, A.; Lund, M. Solution Electrostatics beyond pH: A Coarse Grained Approach to Ion Specific Interactions between Macromolecules Faraday Discuss. 2013, 160, 271-278
72. Heyda, J.; Soll, S.; Yuan, J.; Dzubiella, J. Thermodynamic Description of the LCST of Charged Thermoresponsive Copolymers Macromolecules 2014, 47, 2096-2102