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

被引:104
作者
Szakács, Z
Kraszni, M
Noszál, B
机构
[1] Semmelweis Univ, Dept Pharmaceut Chem, H-1092 Budapest, Hungary
[2] Eotvos Lorand Univ, Dept Pharmaceut Chem, H-1117 Budapest, Hungary
关键词
microscopic protonation constant; NMR-pH titration; chemical shift; microspeciation;
D O I
10.1007/s00216-003-2390-3
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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 proper-ties 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.
引用
收藏
页码:1428 / 1448
页数:21
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