Influence of a Neighboring Charged Group on Hydrophobic Hydration Shell Structure

Journal of Physical Chemistry B

Volumn 119, Issue 29, 2015, Pages 9417-9422

  Davis, Joel G ^a,b   Zukowski, Samual R ^a   Rankin, Blake M ^a   Ben Amotz, Dor ^a  

^a PURDUE UNIVERSITY   (United States)

^b Wisconsin Lutheran College   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; CHAIN LENGTH; CHAINS; HYDRATION; MOLECULES; SHELLS (STRUCTURES); SOLUTIONS;

CHARGE ASYMMETRIES; HYDROPHOBIC CHAINS; HYDROPHOBIC GROUPS; HYDROPHOBIC HYDRATION; INTRAMOLECULAR CHARGE; METHYLENE GROUPS; MULTIVARIATE CURVE RESOLUTION; STRUCTURAL TRANSFORMATION;

HYDROPHOBICITY;

ALCOHOL DERIVATIVE; AMMONIUM DERIVATIVE; CARBON; CARBOXYLIC ACID; ION; NITROGEN; WATER;

CHEMICAL PHENOMENA; CHEMISTRY; MOLECULAR DYNAMICS; PH; QUANTUM THEORY; RAMAN SPECTROMETRY; TEMPERATURE;

ALCOHOLS; AMMONIUM COMPOUNDS; CARBON; CARBOXYLIC ACIDS; HYDROGEN-ION CONCENTRATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; IONS; MOLECULAR DYNAMICS SIMULATION; NITROGEN; QUANTUM THEORY; SPECTRUM ANALYSIS, RAMAN; TEMPERATURE; WATER;

EID: 84938099371     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp510641a     Document Type: Article

References (33)

1. Luzar, A.; Leung, K. Dynamics of capillary evaporation. I. Effect of morphology of hydrophobic surfaces J. Chem. Phys. 2000, 113, 5836-5844
2. Hummer, G.; Rasaiah, J. C.; Noworyta, J. P. Water conduction through the hydrophobic channel of a carbon nanotube Nature 2001, 414, 188-190
3. Huang, X. H.; Zhou, R. H.; Berne, B. J. Drying and hydrophobic collapse of paraffin plates J. Phys. Chem. B 2005, 109, 3546-3552
4. Patel, A. J.; Varilly, P.; Jamadagni, S. N.; Hagan, M. F.; Chandler, D.; Garde, S. Sitting at the Edge: How Biomolecules use Hydrophobicity to Tune Their Interactions and Function J. Phys. Chem. B 2012, 116, 2498-2503
5. Giovambattista, N.; Debenedetti, P. G.; Rossky, P. J. Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity J. Phys. Chem. C 2007, 111, 1323-1332
6. Patel, A. J.; Varilly, P.; Jamadagni, S. N.; Acharya, H.; Garde, S.; Chandler, D. Extended surfaces modulate hydrophobic interactions of neighboring solutes Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 17678-17683
7. Scheu, R.; Rankin, B. M.; Chen, Y. X.; Jena, K. C.; Ben-Amotz, D.; Roke, S. Charge Asymmetry at Aqueous Hydrophobic Interfaces and Hydration Shells Angew. Chem., Int. Ed. 2014, 53, 9560-9563
8. Scheu, R.; Chen, Y. X.; de Aguiar, H. B.; Rankin, B. M.; Ben-Amotz, D.; Roke, S. Specific Ion Effects in Amphiphile Hydration and Interface Stabilization J. Am. Chem. Soc. 2014, 136, 2040-2047
9. Acharya, H.; Vembanur, S.; Jamadagni, S. N.; Garde, S. Mapping hydrophobicity at the nanoscale: Applications to heterogeneous surfaces and proteins Faraday Discuss. 2010, 146, 353-365
10. Ben-Amotz, D. Unveiling Electron Promiscuity J. Phys. Chem. Lett. 2011, 2, 1216-1222
11. Wang, Y. F.; Yu, Z. Y.; Wu, J.; Liu, C. B. Electron Delocalization and Charge Transfer in Polypeptide Chains J. Phys. Chem. A 2009, 113, 10521-10526
12. Sagle, L. B.; Cimatu, K.; Litosh, V. A.; Liu, Y.; Flores, S. C.; Chen, X.; Yu, B.; Cremer, P. S. Methyl Groups of Trimethylamine N -Oxide Orient Away from Hydrophobic Interfaces J. Am. Chem. Soc. 2011, 133, 18707-18712
13. Anand, G.; Jamadagni, S. N.; Garde, S.; Belfort, G. Self-Assembly of TMAO at Hydrophobic Interfaces and Its Effect on Protein Adsorption: Insights from Experiments and Simulations Langmuir 2010, 26, 9695-9702
14. Pradines, V.; Poteau, R.; Pimienta, V. Amphiphilic organic ion pairs in solution: A theoretical study ChemPhysChem 2007, 8, 1524-1533
15. Polyansky, A. A.; Zagrovic, B. Protein Electrostatic Properties Predefining the Level of Surface Hydrophobicity Change upon Phosphorylation J. Phys. Chem. Lett. 2012, 3, 973-976
16. Luzhkov, V. B.; Osterberg, F.; Acharya, P.; Chattopadhyaya, J.; Aqvist, J. Computational and NMR study of quaternary ammonium ion conformations in solution Phys. Chem. Chem. Phys. 2002, 4, 4640-4647
17. Davis, J. G.; Rankin, B. M.; Gierszal, K. P.; Ben-Amotz, D. On the cooperative formation of non-hydrogen bonded water at molecular hydrophobic interfaces Nat. Chem. 2013, 5, 796-802
18. Davis, J. G.; Gierszal, K. P.; Wang, P.; Ben-Amotz, D. Water structural transformation at molecular hydrophobic interfaces Nature 2012, 491, 582-585
19. Gierszal, K. P.; Davis, J. G.; Hands, M. D.; Wilcox, D. S.; Slipchenko, L. V.; Ben-Amotz, D. π-Hydrogen Bonding in Liquid Water J. Phys. Chem. Lett. 2011, 2, 2930-2933
20. Perera, P. N.; Fega, K. R.; Lawrence, C.; Sundstrom, E. J.; Tomlinson-Phillips, J.; Ben-Amotz, D. Observation of water dangling OH bonds around dissolved nonpolar groups Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 12230-12234
21. Perera, P.; Wyche, M.; Loethen, Y.; Ben-Amotz, D. Solute-induced perturbations of solvent-shell molecules observed using multivariate Raman curve resolution J. Am. Chem. Soc. 2008, 130, 4576-4579
22. Petersen, C.; Tielrooij, K. J.; Bakker, H. J. Strong temperature dependence of water reorientation in hydrophobic hydration shells J. Chem. Phys. 2009, 130, 214511
23. Li, I. T. S.; Walker, G. C. Signature of hydrophobic hydration in a single polymer Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 16527-16532
24. Li, I. T. S.; Walker, G. C. Single Polymer Studies of Hydrophobic Hydration Acc. Chem. Res. 2012, 45, 2011-2021
25. Garde, S.; Patel, A. J. Unraveling the hydrophobic effect, one molecule at a time Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 16491-16492
26. Lum, K.; Chandler, D.; Weeks, J. D. Hydrophobicity at Small and Large Length Scales J. Phys. Chem. B 1999, 103, 4570-4577
27. Chandler, D. Interfaces and the driving force of hydrophobic assembly Nature 2005, 437, 640-647
28. Rankin, B. M.; Hands, M. D.; Wilcox, D. S.; Fega, K. R.; Slipchenko, L. V.; Ben-Amotz, D., Interactions between halide anions and a molecular hydrophobic interface. Faraday Discuss. 2013, 160.
29. Fega, K. R.; Wilcox, D. S.; Ben-Amotz, D. Application of Raman Multivariate Curve Resolution to Solvation-Shell Spectroscopy Appl. Spectrosc. 2012, 66, 282-288
30. Tomlinson-Phillips, J.; Davis, J.; Ben-Amotz, D.; Spångberg, D.; Pejov, L.; Hermansson, K. Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment J. Phys. Chem. A 2011, 115, 6177-6183
31. Mulliken, R. S. Electronic Population Analysis on LCAO-MO Molecular Wave Functions. 1 J. Chem. Phys. 1955, 23, 1833-1840
32. Reed, A. E.; Weinstock, R. B.; Weinhold, F. Natural-Population Analysis J. Chem. Phys. 1985, 83, 735-746
33. Errington, J. R.; Debenedetti, P. G. Relationship between structural order and the anomalies of liquid water Nature 2001, 409, 318-321