A view of thermodynamics of hydration emerging from continuum studies.
Main physical-chemical features of hydration found in continuum studies and possible limitations of the method are analyzed. Particular attention is given to: the choice of thermodynamic observables to be compared to the calculations; representations of the solute polarizability; compensation between the loss of hydration enthalpy and gain in Coulomb interactions upon a complex formation; two minima in interaction potentials between polar groups in solution; similarities and dissimilarities between interaction potentials in solution from continuum and molecular theories; continuum calculations of entropies of hydration; and evaluation of a temperature dependence of thermodynamic characteristics of hydration with continuum methods.
Rashin
A A
AA
BioChemComp Inc., Teaneck, NJ 07666.
Bukatin
M A
MA
D000818:Animals; D007611:Aprotinin / Q000737:chemistry; D002417:Cattle; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004563:Electrochemistry; D006860:Hydrogen Bonding; D066298:In Vitro Techniques; D008956:Models, Chemical; D015394:Molecular Structure; D012259:Ribonuclease, Pancreatic / Q000737:chemistry; D012996:Solutions; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
D012996:Solutions; D014867:Water; D007611:Aprotinin; D012259:Ribonuclease, Pancreatic