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Determination of microscopic acid–base parameters from NMR–pH titrations

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Abstract

The theory and practice of proton microspeciation based on NMR–pH titrations are surveyed. Principles of bi-, tri-, tetra-, and n-protic microequilibrium systems are discussed. Evaluation methods are exemplified by case studies on bi- and tetraprotic biomolecules. Selection criteria and properties of ‘reporter’ NMR nuclei are described. Literature data on complete microspeciations of small ligands and site-specific basicity characterizations of peptides and proteins are critically reviewed.

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Acknowledgements

This work was supported by the grant OTKA T43579. Z. Sz. is indebted to Prof Gerhard Hägele (Heinrich Heine University Düsseldorf) for invaluable mentoring during the DAAD scholarship years.

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Authors and Affiliations

  1. Department of Inorganic and Analytical Chemistry, Loránd Eötvös University, Pázmány Péter sétány 1/A, 1117, Budapest, Hungary

    Zoltán Szakács

  2. Department of Pharmaceutical Chemistry, Semmelweis University, Hőgyes E. u. 9., 1092, Budapest, Hungary

    Márta Kraszni & Béla Noszál

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  1. Zoltán Szakács
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  2. Márta Kraszni
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  3. Béla Noszál
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Correspondence to Béla Noszál.

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Szakács, Z., Kraszni, M. & Noszál, B. Determination of microscopic acid–base parameters from NMR–pH titrations. Anal Bioanal Chem 378, 1428–1448 (2004). https://doi.org/10.1007/s00216-003-2390-3

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  • DOI: https://doi.org/10.1007/s00216-003-2390-3

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