Journal
MOLECULES
Volume 16, Issue 2, Pages 1103-1112Publisher
MDPI
DOI: 10.3390/molecules16021103
Keywords
amino acid chelates; topological indices; regression models
Funding
- Croatian Ministry of Science, Technology, Education and Sport [022-1770495-2901]
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Logarithms of stability constants, log K-1 and log beta(2), of the first transition series metal mono-and bis-complexes with any of four aliphatic amino acids (glycine, alanine, valine and leucine) decrease monotonously with third order valence connectivity index, (3)chi(v), from Cu2+ to Mn2+. While stability of the complexes with the same metal is linearly dependent on (3)chi(v), stability constants of Mn2+, Fe2+, Co2+, and Ni2+ complexes with the same ligand show a quadratic dependence on (3)chi(v). As Cu2+ complexes deviate significantly from quadratic functions, models for the simultaneous estimation of the stability constants, yielding r = 0.999 (S.E. = 0.05) and r = 0.998 (S.E. = 0.11), for log K-1 and log beta(2), respectively, were developed only for Mn2+, Fe2+, Co2+, and Ni2+ complexes with amino acids.
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