Extended scaled particle theory for dilute solutions of arbitrary shaped solutes : applications to solvation free energies of alkanes, alcohols, and proteins 任意の形状の溶質分子からなる希薄溶液に対する拡張されたスケール粒子理論 : アルカン、アルコール、そして蛋白質の溶媒和自由エネルギーへの応用

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Author

    • 入佐, 正幸 イリサ, マサユキ

Bibliographic Information

Title

Extended scaled particle theory for dilute solutions of arbitrary shaped solutes : applications to solvation free energies of alkanes, alcohols, and proteins

Other Title

任意の形状の溶質分子からなる希薄溶液に対する拡張されたスケール粒子理論 : アルカン、アルコール、そして蛋白質の溶媒和自由エネルギーへの応用

Author

入佐, 正幸

Author(Another name)

イリサ, マサユキ

University

大阪大学

Types of degree

博士 (理学)

Grant ID

乙第6861号

Degree year

1996-02-22

Note and Description

博士論文

Table of Contents

  1. Table of contents / (0003.jp2)
  2. General introduction / p1 (0006.jp2)
  3. Chapter1 Review of three methods relating with the calculation of the solvation free energy / p3 (0008.jp2)
  4. Chapter2 Extension of scaled particle theory for solutes with multi interaction sites: applications to hydration free energies of hydrocarbons / p6 (0011.jp2)
  5. Abstract / p6 (0011.jp2)
  6. Introduction / p7 (0012.jp2)
  7. I.Scaled Particle Theory for a solute with an arbitrary shape / p8 (0013.jp2)
  8. II.Solvation Free Energy of Hydrocarbons / p14 (0019.jp2)
  9. Concluding remarks / p18 (0023.jp2)
  10. Chapter3 Combination of the extended scaled particle theory and Poisson-Boltzmann equation:applications to hydration free energies alkanes and alcohols / p22 (0027.jp2)
  11. Abstract / p22 (0027.jp2)
  12. Introduction / p23 (0028.jp2)
  13. Method / p26 (0031.jp2)
  14. I.Extended Scaled Particle Theory / p26 (0031.jp2)
  15. II.Lennard-Jones interaction of the solute molecule with the solvent / p29 (0034.jp2)
  16. III. Electrostatic interaction between the solute molecule and the solvent / p30 (0035.jp2)
  17. Energy and structure parameters / p32 (0037.jp2)
  18. Results / p33 (0038.jp2)
  19. Discussion / p37 (0042.jp2)
  20. Conclusions / p40 (0045.jp2)
  21. Appendix / p41 (0046.jp2)
  22. Chapter4 Application to the proteins:hydration free energies of avian pancreatic polypeptide and actin / p51 (0056.jp2)
  23. Abstract / p51 (0056.jp2)
  24. Introduction / p51 (0056.jp2)
  25. Method / p52 (0057.jp2)
  26. I.Extended Scaled Particle Theory / p53 (0058.jp2)
  27. II.Lennard-Jones interaction of the solute molecule with the solvent / p54 (0059.jp2)
  28. III.Electrostatic interaction between the solute molecule and the solvent / p56 (0061.jp2)
  29. Chapter5 Mathematical basis of extended scaled particle theory:analytical method for calculating volume of the fused spheres with different radii / p70 (0075.jp2)
  30. Abstract / p70 (0075.jp2)
  31. Introduction / p71 (0076.jp2)
  32. Method / p77 (0082.jp2)
  33. Implementation of the method / p109 (0114.jp2)
  34. Discussion / p111 (0116.jp2)
  35. Appendix / p115 (0120.jp2)
  36. Chapter6 Conclusions / p127 (0132.jp2)
  37. Acknowledgements / p128 (0133.jp2)
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Codes

  • NII Article ID (NAID)
    500000130622
  • NII Author ID (NRID)
    • 8000000954370
  • DOI(NDL)
  • Text Lang
    • eng
  • NDLBibID
    • 000000294936
  • Source
    • Institutional Repository
    • NDL ONLINE
    • NDL Digital Collections

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