Comparison of Orthogonal Determination Methods of Acid/Base Constants with Meta-Analysis.

ABSTRACT: The accurate determination of acid/base constants (proton dissociation constants-pK_a, or equivalently protonation constants-logK) is essential for the physicochemical characterization of new molecules, especially in drug design and development, as these parameters thoroughly influence the pharmacokinetics and pharmacodynamics of drug action. While pH/potentiometric titration remains the gold standard method for determining acid/base constants, spectroscopic techniques-particularly nuclear magnetic resonance spectroscopy (as NMR/pH titrations)-have emerged as powerful alternatives for specific challenges in analytical chemistry, providing also information on the structure and site of protonation. In this study, we performed a comprehensive meta-analysis of protonati

SUBMITTER: Palla T 

PROVIDER: S-EPMC11641643 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature