Reversal of the hofmeister series: Specific ion effects on peptides

Journal of Physical Chemistry B

Volumn 117, Issue 27, 2013, Pages 8150-8158

  Paterová, Jana ^a   Rembert, Kelvin B ^b,d   Heyda, Jan ^c   Kurra, Yadagiri ^b   Okur, Halil I ^b,d   Liu, Wenshe R ^b   Hilty, Christian ^b   Cremer, Paul S ^b,d   Jungwirth, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b TEXAS A AND M UNIVERSITY   (United States)

^c HAHN MEITNER INSTITUT   (Germany)

^d PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; HYDRATION; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PEPTIDES;

BASIC AMINO ACIDS; CHEMICAL AND PHYSICAL PROPERTIES; ENZYMATIC ACTIVITIES; HYDRATION PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; POSITIVELY CHARGED; PROTEIN DENATURATION; SPECIFIC ION EFFECTS;

IONS;

EID: 84880155215     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp405683s     Document Type: Article

References (42)

1. Collins, K. D.; Neilson, G. W.; Enderby, J. E. Ions in Water: Characterizing the Forces That Control Chemical Processes and Biological Structure Biophys. Chem. 2007, 128, 95-104
2. Lo Nostro, P.; Ninham, B. W. Hofmeister Phenomena: An Update on Ion Specificity in Biology Chem. Rev. 2012, 112, 2286-2322
3. Gumey, R. W. Ionic Processes in Solution; McGraw-Hill: New York, 1953.
4. Long, F. A.; McDevit, W. F. Activity Coefficients of Nonelectrolyte Solutes in Aqueous Salt Solutions Chem. Rev. 1952, 51, 119-169
5. Zhang, Y. J.; Cremer, P. S. Interactions between Macromolecules and Ions: The Hofmeister Series Curr. Opin. Chem. Biol. 2006, 10, 658-663
6. Jungwirth, P.; Winter, B. Ions at Aqueous Interfaces: From Water Surface to Hydrated Proteins Annu. Rev. Phys. Chem. 2008, 59, 343-366
7. Kunz, W. Specific Ion Effects in Colloidal and Biological Systems Curr. Opin. Colloid Interface Sci. 2010, 15, 34-39
8. Omta, A. W.; Kropman, M. F.; Woutersen, S.; Bakker, H. J. Negligible Effect of Ions on the Hydrogen-Bond Structure in Liquid Water Science 2003, 301, 347-349
9. Funkner, S.; Niehues, G.; Schmidt, D. A.; Heyden, M.; Schwaab, G.; Callahan, K. M.; Tobias, D. J.; Havenith, M. Watching the Low-Frequency Motions in Aqueous Salt Solutions: The Terahertz Vibrational Signatures of Hydrated Ions J. Am. Chem. Soc. 2012, 134, 1030-1035
10. Hofmeister, F. Zur Lehre von der Wirkung der Salze Arch. Exp. Pathol. Pharmakol. 1888, 24, 247-260
11. Kunz, W.; Henle, J.; Ninham, B. W. '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
12. Schwierz, N.; Horinek, D.; Netz, R. R. Reversed Anionic Hofmeister Series: The Interplay of Surface Charge and Surface Polarity Langmuir 2010, 26, 7370-7379
13. Zhang, Y. J.; Cremer, P. S. The Inverse and Direct Hofmeister Series for Lysozyme Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 15249-15253
14. Lund, M.; Jungwirth, P. Patchy Proteins, Anions and the Hofmeister Series J. Phys.: Condens. Matter 2008, 20, 11582
15. Nandi, P. K.; Robinson, D. R. Effects of Salts on Free-Energies of Nonpolar Groups in Model Peptides J. Am. Chem. Soc. 1972, 94, 1308-1315
16. Nandi, P. K.; Robinson, D. R. Effects of Salts on Free-Energy of Peptide Group J. Am. Chem. Soc. 1972, 94, 1299-1308
17. Pegram, L. M.; Record, M. T. Thermodynamic Origin of Hofmeister Ion Effects J. Phys. Chem. B 2008, 112, 9428-9436
18. Heyda, J.; Hrobarik, T.; Jungwirth, P. Ion-Specific Interactions between Halides and Basic Amino Acids in Water J. Phys. Chem. A 2009, 113, 1969-1975
19. 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
20. Algaer, E. A.; van der Vegt, N. F. A. Hofmeister Ion Interactions with Model Amide Compounds J. Phys. Chem. B 2011, 115, 13781-13787
21. Robinson, D. R.; Jencks, W. P. Effect of Concentrated Salt Solutions on Activity Coefficient of Acetyltetraglycine Ethyl Ester J. Am. Chem. Soc. 1965, 87, 2470-2479
22. 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
23. Wang, J. M.; Wolf, R. M.; Caldwell, J. W.; Kollman, P. A.; Case, D. A. Development and Testing of a General Amber Force Field J. Comput. Chem. 2004, 25, 1157-1174
24. N Clusters J. Chem. Phys. 1991, 95, 1954-1963
25. N (N=2,3,...,15) Clusters-Molecular-Dynamics Computer-Simulations J. Chem. Phys. 1994, 100, 3085-3093
26. Petersen, P. B.; Saykally, R. J.; Mucha, M.; Jungwirth, P. Enhanced Concentration of Polarizable Anions at the Liquid Water Surface: SHG Spectroscopy and MD Simulations of Sodium Thiocyanide J. Phys. Chem. B 2005, 109, 10915-10921
27. Wernersson, E.; Jungwirth, P. Effect of Water Polarizability on the Properties of Solutions of Polyvalent Ions: Simulations of Aqueous Sodium Sulfate with Different Force Fields J. Chem. Theory Comput. 2010, 6, 3233-3240
28. Caldwell, J. W.; Kollman, P. A. Structure and Properties of Neat Liquids Using Nonadditive Molecular-Dynamics-Water, Methanol, and N -Methylacetamide J. Phys. Chem. 1995, 99, 6208-6219
29. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. A Smooth Particle Mesh Ewald Method J. Chem. Phys. 1995, 103, 8577-8593
30. Ryckaert, J. P.; Ciccotti, G.; Berendsen, H. J. C. Numerical-Integration of Cartesian Equations of Motion of a System with Constraints-Molecular-Dynamics of N -Alkanes J. Comput. Phys. 1977, 23, 327-341
31. Berendsen, H. J. C.; Postma, J. P. M.; Vangunsteren, W. F.; Dinola, A.; Haak, J. R. Molecular-Dynamics with Coupling to an External Bath J. Chem. Phys. 1984, 81, 3684-3690
32. Case, D. A.; Darden, T. A.; Cheatham, T. E, III; Simmerling, C. L.; Wang, J.; Duke, R. E.; Luo, R.; Walker, R. C.; Zhang, W.; Merz, K. M. AMBER 11; University of California: San Francisco, CA, 2010.
33. Kim, K. H.; Martin, Y.; Otis, E.; Mao, J. Inhibition of I-125-Labeled Ristocetin Binding to Micrococcus luteus Cells by the Peptides Related to Bacterial Cell Wall Mucopeptide Precursors: Quantitative Structure Activity Relationships J. Med. Chem. 1989, 32, 84-93
34. Wu, X. X.; Wu, X. F.; Hou, Y. M.; Ng, S. W.; Tiekink, E. R. T. Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate Acta Crystallogr., Sect. E 2011, 67, O3486-U3659
35. Wutrich, K. NMR of Proteins and Nucleic Acids; Wiley-Interscience: New York, 1986.
36. Hadden, C. E.; Martin, G. E.; Krishnamurthy, V. V. Improved Performance Accordion Heteronuclear Multiple-Bond Correlation Spectroscopy-IMPEACH-MBC J. Magn. Reson. 1999, 140, 274-280
37. Liu, M. L.; Mao, X. A.; Ye, C. H.; Huang, H.; Nicholson, J. K.; Lindon, J. C. Improved WATERGATE Pulse Sequences for Solvent Suppression in NMR Spectroscopy J. Magn. Reson. 1998, 132, 125-129
38. 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
39. Mason, P. E.; Heyda, J.; Fischer, H. E.; Jungwirth, P. Specific Interactions of Ammonium Functionalities in Amino Acids with Aqueous Fluoride and Iodide J. Phys. Chem. B 2010, 114, 13853-13860
40. Schwartz, C. P.; Uejio, J. S.; Duffin, A. M.; England, A. H.; Kelly, D. N.; Prendergast, D.; Saykally, R. J. Investigation of Protein Conformation and Interactions with Salts via X-ray Absorption Spectroscopy Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 14008-14013
41. Gibb, C. L. D.; Gibb, B. C. Anion Binding to Hydrophobic Concavity is Central to the Salting-In Effects on Hofmeister Chaotropes J. Am. Chem. Soc. 2011, 133, 7344-7347
42. 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