Complete resolution of the microscopic protonation equilibria of N-methyl-d-aspartic acid and related compounds

Advances in microspeciation of drugs and biomolecules: Species-specific concentrations, acid-base properties and related parameters

“…Deductive methods also include the transfer of the pair-interactivity parameter pertaining to the same molecular fragment and analogous pair of functional groups from small molecules to appropriate moieties of large molecules [18,21,[43][44][45].…”

“…In the third type of deductive methods spectroscopic parameters (including NMR chemical shifts) of related ligands are utilized in the process of microconstant determination for the main compound [19,43,46].…”

Physico-chemical Profiling of ACE-inhibitor Lisinopril: Acid-base Properties

“…where log K Ind is the protonation constant of the indicator and  Ind ,  Hind are the limiting chemical shifts of its non-protonated and protonated forms (determined in separate experiments) [22,23].…”

“…0.2 unit discrepancy in log K 1 between data acquired by the NMR and potentiometric methods may arise from the greater ambiguity of in situ pH values. Specifically, trimethylamine has a log K Ind = 9.90 [23] and thus can monitor pH values higher than doi: 10.5599/admet.1.2.3 13…”

Solvent Effects on Tautomeric and Microscopic Protonation Constants of Glycine in Different Aqueous Solutions of Methanol and Ethanol

“…A few efforts have been devoted to determining protonation microconstants of some amino acids using different methods [1][2][3][4][5]. Nevertheless, there is still little information in the literature about the effect of organic solvents (or their aqueous mixtures) on protonation microconstants of amino acids [6].…”