Bloch equations for proton exchange reactions in an aqueous solution

被引:7
作者
Lee, Jae-Seung [1 ,2 ]
Regatte, Ravinder R. [1 ]
Jerschow, Alexej [2 ]
机构
[1] NYU, Dept Radiol, 560 1St Ave, New York, NY 10016 USA
[2] NYU, Dept Chem, New York, NY USA
基金
美国国家卫生研究院;
关键词
acid-base reaction; Bloch-McConnell equations; chemical exchange; saturation transfer; NUCLEAR MAGNETIC RESONANCE; NMR CHEMICAL-SHIFTS; RATES; HYDRONIUM; SYSTEMS; AGENTS; WATER; ACIDS;
D O I
10.1002/cmr.a.21397
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The extension of the Bloch equations for acid-base reactions in an aqueous solution is revisited. The acid-base reactions are second order, and several reactions catalyzed by distinct catalysts may happen simultaneously. By constructing pseudo first-order reactions and assuming fast dissemination of protons from catalysts to solvent water, this extension converges to the well-known Bloch-McConnell equations for a two-site first-order exchange. Thus, explicit relationships between the parameters appearing in the reactions and the Bloch-McConnell equations are established. The dependencies of exchange rates and chemical exchange saturation transfer effects on pH were numerically and experimentally investigated for representative examples.
引用
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页数:13
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