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Influence of the size of fixed-rigidity spheres on the structural and energy characteristics of hydrophobic hydration

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Abstract

Monte Carlo simulations of molecular configurations of aqueous solutions of spherical particles with a special potential of solute—water interaction were carried out. The influence of the particle size on the properties of hydration shells was investigated. Two regimes of hydrophobic hydration with a crossover point at 0.4 nm were found. Hydration of smaller particles causes insignificant changes in the properties of water. Particles larger than 0.4 nm break the liquid water structure. Breaking effects are more pronounced in the first hydration shell of particles. Dewetting of hard sphere surfaces predicted by the LCW phenomenological theory has peculiarities in the case of hydration of fixed-rigidity spheres.

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References

  1. L. R Pratt, Annu. Rev. Phys. Chem., 2002, 53, 409.

    Article  CAS  Google Scholar 

  2. P. Ball, Nature, 2003, 423, 25.

    Article  CAS  Google Scholar 

  3. D. Chandler, Nature, 2005, 437, 640.

    Article  CAS  Google Scholar 

  4. D. Chandler, Nature, 2007, 445, 831.

    Article  CAS  Google Scholar 

  5. S. Höfinger, F. Zerbetto, Chem. Soc. Rev., 2005, 34, 1012.

    Article  Google Scholar 

  6. A. Wallqvist, B. J. Berne, J. Phys. Chem., 1995, 99, 2885.

    Article  CAS  Google Scholar 

  7. J. Perkyns, B. M. Pettitt, J. Phys. Chem., 1996, 100, 1323.

    Article  CAS  Google Scholar 

  8. F. M. Floris, M. Selmi, A. Tani, J. Tomasi, J. Chem. Phys., 1997, 107, 6353.

    Article  CAS  Google Scholar 

  9. K. Lum, D. Chandler, J. D. Weeks, J. Phys. Chem. B, 1999, 103, 4570.

    Article  CAS  Google Scholar 

  10. H. S. Ashbaugh, M. Paulaitis, J. Am. Chem. Soc., 2001, 123, 10721.

    Article  CAS  Google Scholar 

  11. G. Hummer, S. Garde, Phys. Rev. Lett., 1998, 80, 4193.

    Article  CAS  Google Scholar 

  12. D. Ben-Amotz, J. Chem. Phys., 2005, 123, 184504.

    Article  Google Scholar 

  13. N. T. Southhal, K. A. Dill, J. Phys. Chem. B, 2000, 104, 1326.

    Article  Google Scholar 

  14. P. Jedlovszky, M. Predota, I. Nezbeda, Mol. Phys., 2006, 104, 2465.

    Article  CAS  Google Scholar 

  15. H. S. Frank, M. W. Evans, J. Chem. Phys., 1945, 13, 507.

    Article  CAS  Google Scholar 

  16. G. G. Malenkov, Zh. Struktur. Khim., 2006, 47, S5 [Russ. J. Struct. Chem., 2006, 47 (Engl. Transl.)].

    Google Scholar 

  17. H. E. Stanley, J. Teixeira, J. Chem. Phys., 1980, 73, 3404.

    Article  CAS  Google Scholar 

  18. K. Yoshida, A. Kitajo, T. Yamaguchi, J. Mol. Liq., 2006, 125, 158.

    CAS  Google Scholar 

  19. A. Novikov, M. Rodnikova, J. Barthel, O. Sobolev, J. Mol. Liq., 1999, 79, 203.

    Article  Google Scholar 

  20. B. Guillot, J. Mol. Liq., 2002, 101, 219.

    Article  CAS  Google Scholar 

  21. L. Finney, J. Mol. Liq., 2001, 90, 303.

    Article  CAS  Google Scholar 

  22. J. L. Finney, Phil. Trans. R. Soc. Lond. B, 2004, 359, 1145.

    Article  CAS  Google Scholar 

  23. Y. G. Bushuev, S. V. Davletbaeva, F. Muguet, Molecules, 2003, 8, 226.

    Article  CAS  Google Scholar 

  24. Yu. G. Bushuev, S. V. Davletbaeva, F. Muguet, in Voda: struktura, sostoyanie, sol’vatatsiya. Dostizheniya poslednikh let [Recent Advances in the Studies of Water: The Structure, State, and Solvation], Nauka, Moscow, 2003, p. 146 (in Russian).

    Google Scholar 

  25. G. Hummer, J. C. Rasaiah, J. P. Noworyta, Nature, 2001, 414, 188.

    Article  CAS  Google Scholar 

  26. Y. G. Bushuev, S. V. Davletbaeva, F. Muguet, Sensors, 2005, 5, 139.

    Article  CAS  Google Scholar 

  27. K. Koga, G. T. Gao, H. Tanaka, X. C. Zeng, Nature, 2001, 412, 802.

    Article  CAS  Google Scholar 

  28. Y. Maniwa, H. Kataura, M. Abe, S. Suzuki, Y. Achiba, H. Kira, K. Matsuda, J. Phys. Soc. Jpn, 2002, 71, 2863.

    Article  CAS  Google Scholar 

  29. A. I. Kolesnikov, J. M. Zanotti, C. K. Loong, P. Thiyagarajan, Phys. Rev. Lett., 2004, 93, 035503au]_-1.

  30. X. Huang, R. Zhou, B. J. Berne, J. Phys. Chem. B, 2005, 109, 3546.

    Article  CAS  Google Scholar 

  31. R. Zhou, NIC Workshop 2006, From Computational Biophysics to Systems Biology, John von Neumann Institute for Computing, Julich, NIC Series, 2006, 34, 53.

    Google Scholar 

  32. R. Zangi, M. Hagen, B. J. Berne, J. Am. Chem. Soc., 2007, 129, 4678.

    Article  CAS  Google Scholar 

  33. P. Liu, X. Huang, R. Zhou, B. J. Berne, Nature, 2005, 437, 159.

    Article  CAS  Google Scholar 

  34. D. M. Huang, D. Chandler, PNAS, 2000, 97, 8324.

    Article  CAS  Google Scholar 

  35. X. Huang, C. J. Margulis, B. J. Berne, J. Phys. Chem. B, 2003, 107, 11742.

    Article  CAS  Google Scholar 

  36. E. Gallicchio, M. M. Kubo, R. M. Levy, J. Phys. Chem. B, 2000, 104, 6271.

    Article  CAS  Google Scholar 

  37. Yu. G. Bushuev, S. V. Davletbaeva, V. P. Korolev, Izv. Akad. Nauk, Ser. Khim., 1999, 841 [Russ. Chem. Bull., 1999, 48, 831 (Engl. Transl.)].

    Google Scholar 

  38. O. Ya. Samoilov, Struktura vodnykh rastvorov elektrolitov i gidratatsiya ionov [The Structure of Aqueous Electrolyte Solutions and Ion Hydration], Izd-vo AN SSSR, Moscow, 1957, 182 pp. (in Russian).

    Google Scholar 

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Authors and Affiliations

  1. Ivanovo State University of Chemistry and Technology, 7 prosp. F. Engelsa, 153000, Ivanovo, Russian Federation

    Yu. G. Bushuev

  2. Institute of Solution Chemistry, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153045, Ivanovo, Russian Federation

    S. V. Davletbaeva & V. P. Korolev

Authors
  1. Yu. G. Bushuev
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  2. S. V. Davletbaeva
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  3. V. P. Korolev
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Correspondence to Yu. G. Bushuev.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1777–1786, September, 2008.

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Bushuev, Y.G., Davletbaeva, S.V. & Korolev, V.P. Influence of the size of fixed-rigidity spheres on the structural and energy characteristics of hydrophobic hydration. Russ Chem Bull 57, 1811–1820 (2008). https://doi.org/10.1007/s11172-008-0244-z

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  • DOI: https://doi.org/10.1007/s11172-008-0244-z

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