Abstract
2H NMR is used to ascertain dynamical behaviors of pure and mixed hydrogen-bonded liquids in bulk and in confinement. Detailed comparisons of previous and new results in broad dynamic and temperature ranges reveal that confinement effects differ for various liquids and confinements. For water, molecular reorientation strongly depends on the confinement size, with much slower and less fragile structural relaxation under more severe geometrical restriction. Moreover, a dynamical crossover occurs when a fraction of solid water forms so that the dynamics of the fraction of liquid water becomes even more restricted and, as a consequence, changes from bulk-like to interface-dominated. For glycerol, by contrast, confinement has weak effects on the reorientation dynamics. Mixed hydrogen-bonded liquids show even more complex dynamical behaviors. For aqueous solutions, the temperature dependence of the structural relaxation becomes discontinuous when the concentration changes due to a freezing of water fractions. This tendency for partial crystallization is enhanced rather than reduced by confinement, because different liquid-matrix interactions of the molecular species induce micro-phase segregation, which facilitates ice formation in water-rich regions. In addition, dynamical couplings at solvent-protein interfaces are discussed. It is shown that, on the one hand, solvent dynamics are substantially slowed down at protein surfaces and, on the other hand, protein dynamics significantly depend on the composition and, thus, the viscosity of the solvent. Furthermore, a protein dynamical transition occurs when the amplitude of water-coupled restricted backbone dynamics vanishes upon cooling.
Acknowledgements
Financial support of the Deutsche Forschungsgemeinschaft (DFG) in the framework of Forschergruppe FOR 1583 through grants Vo-905/8-1/2 and Vo-905/10-1/2 is gratefully acknowledged. We thank G. Buntkowsky, C. Hess, and J. Swenson for providing us with mesoporous silica materials and W. Doster for placing a perdeuterated protein at our disposal. Finally, we thank A. Hariri, M. Hopfenmüller, W. Koshekan, C. Lederle, S. Schoner, and P. Wendel for making their experimental data available to us.
References
1. M. Alcoutlabi, G. B. McKenna, J. Phys.: Condens. Matter 17 (2005) R461.10.1088/0953-8984/17/15/R01Search in Google Scholar
2. R. Richert, Annu. Rev. Phys. Chem. 62 (2011) 65.10.1146/annurev-physchem-032210-103343Search in Google Scholar PubMed
3. M. Vogel, Eur. Phys. J. Spec. Top. 189 (2010) 47.10.1140/epjst/e2010-01309-9Search in Google Scholar
4. J. Deschamps, F. Audonnet, N. Brodie-Linder, M. Schoeffel, C. Alba-Simionesco, Phys. Chem. Chem. Phys. 12 (2010) 1440.10.1039/B920816JSearch in Google Scholar PubMed
5. P. G. Debenedetti, J. Phys.: Condens. Matter 15 (2003) R1669.10.1088/0953-8984/15/45/R01Search in Google Scholar
6. P. H. Poole, F. Sciortino, U. Essmann, H. E. Stanley, Nature 360 (1992) 324.10.1038/360324a0Search in Google Scholar
7. O. Mishima, H. E. Stanley, Nature 396 (1998) 329.10.1038/24540Search in Google Scholar
8. K. Ito, C. T. Moynihan, C. A. Angell, Nature 398 (1999) 492.10.1038/19042Search in Google Scholar
9. F. W. Starr, C. A. Angell, H. E. Stanley, Physica A 323 (2003) 51.10.1016/S0378-4371(03)00012-8Search in Google Scholar
10. S. Cerveny, F. Mallamace, J. Swenson, M. Vogel, L. Xu, Chem. Rev. 116 (2016) 7608.10.1021/acs.chemrev.5b00609Search in Google Scholar PubMed
11. S. Dixit, J. Crain, W. C. K. Poon, J. L. Finney, A. K. Soper, Nature 416 (2002) 829.10.1038/416829aSearch in Google Scholar PubMed
12. Y. Hayashi, A. Puzenko, Y. Feldman, J. Non-Cryst. Solids 352 (2006) 4696.10.1016/j.jnoncrysol.2006.01.113Search in Google Scholar
13. I. Popov, A. Greenbaum, A. P. Sokolov, Y. Feldman, Phys. Chem. Chem. Phys. 17 (2015) 18063.10.1039/C5CP02851ESearch in Google Scholar PubMed
14. J. Swenson, J. Sjöström, F. Fernandez-Alsonso, J. Chem. Phys. 133 (2010) 234506.10.1063/1.3515958Search in Google Scholar PubMed
15. L. D. Gelb, K. E. Gubbins, R. Radhakrishnan, M. Sliwinska-Bartkowiak, Rep. Prog. Phys. 62 (1999) 1573.10.1088/0034-4885/62/12/201Search in Google Scholar
16. K. Elamin, H. Jansson, S. Kittaka, J. Swenson, Phys. Chem. Chem. Phys. 15 (2013) 18437.10.1039/c3cp51786aSearch in Google Scholar PubMed
17. J. Swenson, K. Elamin, G. Chen, W. Lohstroh, V. Garcia Sakai, J. Phys. Chem. 141 (2014) 214501.10.1063/1.4902250Search in Google Scholar PubMed
18. X.-Y. Guo, T. Watermann, D. Sebastiani, J. Phys. Chem. B 118 (2014) 10207.10.1021/jp505203tSearch in Google Scholar PubMed
19. R. Schmitz, N. Müller, S. Ullmann, M. Vogel, J. Chem. Phys. 145 (2016) 104703.10.1063/1.4962240Search in Google Scholar PubMed
20. P. W. Fenimore, H. Frauenfelder, B. H. McMahon, R. D. Young, Proc. Natl. Acad. Sci. 101 (2004) 14408.10.1073/pnas.0405573101Search in Google Scholar PubMed PubMed Central
21. W. Doster, Eur. Biophys. J. 37 (2008) 591.10.1007/s00249-008-0274-3Search in Google Scholar PubMed
22. S. Khodadadi, J. H. Roh, A. Kisliuk, E. Mamontov, M. Tyagi, S. A. Woodson, R. M. Briber, A. P. Sokolov, Biophys. J. 98 (2010) 1321.10.1016/j.bpj.2009.12.4284Search in Google Scholar PubMed
23. K. Schmidt-Rohr, H. W. Spiess, Multidimensional Solid-State NMR and Polymers, Academic Press, San Diego (1994).Search in Google Scholar
24. N. Bloembergen, E. M. Purcell, R. V. Pound, Phys. Rev. 73 (1948) 679.10.1103/PhysRev.73.679Search in Google Scholar
25. P. A. Beckmann, Phys. Rep. 171 (1988) 85.10.1016/0370-1573(88)90073-7Search in Google Scholar
26. M. Vogel, Phys. Rev. Lett. 101 (2008) 225701.10.1103/PhysRevLett.101.225701Search in Google Scholar PubMed
27. C. R. Herbers, D. Sauer, M. Vogel, J. Chem. Phys. 136 (2012) 124511.10.1063/1.3697448Search in Google Scholar PubMed
28. R. Böhmer, G. Diezemann, G. Hinze, E. Rössler, Prog. Nucl. Magn. Reson. Spectrosc. 39 (2001) 191.10.1016/S0079-6565(01)00036-XSearch in Google Scholar
29. R. Zorn, J. Chem. Phys. 116 (2002) 3204.10.1063/1.1446035Search in Google Scholar
30. R. Díaz-Calleja, Macromolecules 33 (2000) 8924.10.1021/ma991082iSearch in Google Scholar
31. S. A. Lusceac, M. Vogel, J. Phys. Chem. B 114 (2010) 10209.10.1021/jp103663tSearch in Google Scholar PubMed
32. S. A. Lusceac, M. R. Vogel, C. R. Herbers, BBA-Proteins Proteom. 1804 (2010) 41.10.1016/j.bbapap.2009.06.009Search in Google Scholar PubMed
33. D. Demuth, N. Haase, D. Malzacher, M. Vogel, BBA-Proteins Proteom. 1854 (2015) 995.10.1016/j.bbapap.2015.04.012Search in Google Scholar PubMed
34. M. Brodrecht, E. Klotz, C. Lederle, H. Breitzke, B. Stühn, M. Vogel, G. Buntkowsky, Z. Phys. Chem. 232 (2018) 1003.10.1515/zpch-2017-1030Search in Google Scholar
35. P. Ruff, M. Carrillo-Solano, N. Ulrich, A. Hadley, P. Kluth, M. E. Toimil-Molares, C. Trautmann, C. Hess, Z. Phys. Chem. 232 (2018) 1147.10.1515/zpch-2017-1058Search in Google Scholar
36. S. Kittaka, S. Takahara, H. Matsumoto, Y. Wada, T. J. Satoh, T. Yamaguchi, J. Chem. Phys. 138 (2013) 204714.10.1063/1.4807593Search in Google Scholar PubMed
37. B. Grünberg, T. Emmler, E. Gedat, I. Shenderovich, G. H. Findenegg, H.-H. Limbach, G. Buntkowsky, Chem. Eur. J. 10 (2004) 5689.10.1002/chem.200400351Search in Google Scholar PubMed
38. M. Lannert, A. Müller, E. Gouirand, V. Talluto, M. Rosenstihl, T. Walther, B. Stühn, T. Blochowicz, M. Vogel, J. Chem. Phys. 145 (2016) 234511.10.1063/1.4972009Search in Google Scholar PubMed
39. D. Sauer, B. Schuster, M. Rosenstihl, S. Schneider, V. Talluto, T. Walther, T. Blochowicz, B. Stühn, M. Vogel, J. Chem. Phys. 140 (2014) 114503.10.1063/1.4868003Search in Google Scholar PubMed
40. M. Sattig, K. Elamin, M. Reuhl, J. Swenson, M. Vogel, J. Phys. Chem. C 121 (2017) 6796.10.1021/acs.jpcc.7b00655Search in Google Scholar
41. W. Doster, S. Busch, A. M. Gaspar, M. S. Appavou, J. Wuttke, H. Scheer, Phys. Rev. Lett. 104 (2010) 098101.10.1103/PhysRevLett.104.098101Search in Google Scholar PubMed
42. K. Kämpf, B. Kremmling, M. Vogel, Phys. Rev. E 89 (2014) 032710.10.1103/PhysRevE.89.032710Search in Google Scholar PubMed
43. M. Sattig, M. Vogel, J. Phys. Chem. Lett. 5 (2014) 174.10.1021/jz402539rSearch in Google Scholar PubMed
44. M. Rosenstihl, K. Kämpf, F. Klameth, M. Sattig, M. Vogel, J. Non-Cryst. Solids 407 (2015) 449.10.1016/j.jnoncrysol.2014.08.040Search in Google Scholar
45. M. Sattig, S. Reutter, F. Fujara, M. Werner, G. Buntkowsky, M. Vogel, Phys. Chem. Chem. Phys. 16 (2014) 19229.10.1039/C4CP02057JSearch in Google Scholar PubMed
46. J. Sjöström, J. Swenson, R. Bergman, S. Kittaka, J. Chem. Phys. 128 (2008) 154503.10.1063/1.2902283Search in Google Scholar PubMed
47. L. Liu, S.-H. Chen, A. Faraone, C.-W. Yen, C.-Y. Mou, Phys. Rev. Lett. 95 (2005) 117802.10.1103/PhysRevLett.95.117802Search in Google Scholar PubMed
48. N. Roussenova, M. A. Alam, S. Townrow, D. Kilburn, P. E. Sokol, R. Guillet-Nicolas, F. Kleitz, New J. Phys. 16 (2014) 103030.10.1088/1367-2630/16/10/103030Search in Google Scholar
49. S. Cerveny, G. A. Schwartz, R. Bergman, J. Swenson, Phys. Rev. Lett. 93 (2004) 245702.10.1103/PhysRevLett.93.245702Search in Google Scholar PubMed
50. J. Swenson, S. Cerveny, J. Phys.: Condens. Matter 27 (2015) 033102.10.1088/0953-8984/27/3/033102Search in Google Scholar PubMed
51. M. Appel, T. L. Spehr, R. Wipf, C. Moers, H. Frey, B. Stühn, J. Chem. Phys. 139 (2013) 184903.10.1063/1.4828741Search in Google Scholar PubMed
52. A. Fillmer, C. Gainaru, R. Böhmer, J. Non-Cryst. Solids 356 (2010) 743.10.1016/j.jnoncrysol.2009.04.078Search in Google Scholar
53. V. Samouillan, D. Tintar, C. Lacabanne, Chem. Phys. 385 (2011) 19.10.1016/j.chemphys.2011.04.016Search in Google Scholar
54. F. Klameth, M. Vogel, J. Chem. Phys. 138 (2013) 134503.10.1063/1.4798217Search in Google Scholar PubMed
55. F. Klameth, M. Vogel, J. Phys. Chem. Lett. 6 (2015) 4385.10.1021/acs.jpclett.5b02010Search in Google Scholar PubMed
56. J. Geske, M. Harrach, L. Heckmann, R. Horstmann, F. Klameth, N. Müller, E. Pafong, T. Wohlfromm, B. Drossel, M. Vogel, Z. Phys. Chem. 232 (2018) 1187.10.1515/zpch-2017-1042Search in Google Scholar
57. J. Sjöström, J. Mattsson, R. Bergman, E. Johansson, K. Josefsson, D. Svantesson, J. Swenson, Phys. Chem. Chem. Phys. 12 (2010) 10452.10.1039/c001275kSearch in Google Scholar PubMed
58. S. A. Lusceac, C. Gainaru, D. A. Ratzke, M. F. Graf, M. Vogel, J. Phys. Chem. B 115 (2011) 11588.10.1021/jp206362cSearch in Google Scholar PubMed
59. A. Perry, M. P. Stypa, B. K. Tenn, K. K. Kumashiro, Biophys. J. 82 (2002) 1086.10.1016/S0006-3495(02)75468-4Search in Google Scholar PubMed
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