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A CNDO estimate of the relative affinities of taurine and isethionic acid for alkali metal ions
Author(s) -
Cornelius John,
Sabin John R.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560080708
Subject(s) - affinities , cndo/2 , alkali metal , zwitterion , chemistry , ion , taurine , computational chemistry , binding affinities , metal ions in aqueous solution , inorganic chemistry , solvation , amino acid , stereochemistry , organic chemistry , molecule , biochemistry , receptor
Calculations are made, in the CNDO/2 formalism, of the relative affinities of the taurine zwitterion and the isethionic acid anion for alkali metal ions. The possible implications of the results for an understanding of the antiepileptic activity of taurine are discussed.