Literature DB >> 19045038

On the Kirkwood-Buff inversion procedure.

Paul E Smith1.   

Abstract

A general approach is presented to express the Kirkwood-Buff integrals, the central component of the Kirkwood-Buff theory of solutions, in terms of thermodynamic properties of solution mixtures. A general expression valid for any number of components is provided in terms of matrix cofactors, while explicit expressions are given for three and four component mixtures. The corresponding symmetric ideal solution values are also presented for four and higher component mixtures.

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Year:  2008        PMID: 19045038      PMCID: PMC2671658          DOI: 10.1063/1.2982171

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  A protein molecule in an aqueous mixed solvent: fluctuation theory outlook.

Authors:  Ivan L Shulgin; Eli Ruckenstein
Journal:  J Chem Phys       Date:  2005-08-01       Impact factor: 3.488

Review 2.  Recent applications of Kirkwood-Buff theory to biological systems.

Authors:  Veronica Pierce; Myungshim Kang; Mahalaxmi Aburi; Samantha Weerasinghe; Paul E Smith
Journal:  Cell Biochem Biophys       Date:  2007-11-28       Impact factor: 2.194

3.  Comment on "The Kirkwood-Buff theory of solutions and the local composition of liquid mixtures".

Authors:  Arieh Ben-Naim
Journal:  J Phys Chem B       Date:  2008-04-12       Impact factor: 2.991

4.  Reassessment of the binary, ternary, and quaternary interactions in mixed electrolytes from thermodynamic quantities: The systems with uncommon ions containing hydrophobic character.

Authors:  Anil Kumar
Journal:  J Phys Chem B       Date:  2005-06-16       Impact factor: 2.991

  4 in total
  16 in total

1.  A Kirkwood-Buff force field for the aromatic amino acids.

Authors:  Elizabeth A Ploetz; Paul E Smith
Journal:  Phys Chem Chem Phys       Date:  2011-09-19       Impact factor: 3.676

2.  Kirkwood-Buff integrals for ideal solutions.

Authors:  Elizabeth A Ploetz; Nikolaos Bentenitis; Paul E Smith
Journal:  J Chem Phys       Date:  2010-04-28       Impact factor: 3.488

3.  Local Fluctuations in Solution: Theory and Applications.

Authors:  Elizabeth A Ploetz; Paul E Smith
Journal:  Adv Chem Phys       Date:  2013       Impact factor: 1.000

4.  Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields.

Authors:  Bin Lin; Pedro E M Lopes; Benoît Roux; Alexander D MacKerell
Journal:  J Chem Phys       Date:  2013-08-28       Impact factor: 3.488

5.  Kirkwood-Buff theory of molecular and protein association, aggregation, and cellular crowding.

Authors:  Moon Bae Gee; Paul E Smith
Journal:  J Chem Phys       Date:  2009-10-28       Impact factor: 3.488

6.  Fluctuation theory of molecular association and conformational equilibria.

Authors:  Yuanfang Jiao; Paul E Smith
Journal:  J Chem Phys       Date:  2011-07-07       Impact factor: 3.488

7.  Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures.

Authors:  Elizabeth A Ploetz; Paul E Smith
Journal:  J Chem Phys       Date:  2015-03-07       Impact factor: 3.488

8.  Kirkwood-Buff integrals for hard-core Yukawa fluids.

Authors:  Han-Fei Chen; Jiang-Tao Li; Fang Gu; Hai-Jun Wang
Journal:  Eur Phys J E Soft Matter       Date:  2017-11-03       Impact factor: 1.890

9.  A Kirkwood-Buff derived force field for alkaline earth halide salts.

Authors:  Nawavi Naleem; Nikolaos Bentenitis; Paul E Smith
Journal:  J Chem Phys       Date:  2018-06-14       Impact factor: 3.488

10.  A Kirkwood-Buff derived force field for thiols, sulfides, and disulfides.

Authors:  Nikolaos Bentenitis; Nicholas R Cox; Paul E Smith
Journal:  J Phys Chem B       Date:  2009-09-10       Impact factor: 2.991

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