A method for the determination of binding constants by electrospray ionization mass spectrometry
A method for the determination of binding constants by electrospray ionization mass spectrometry
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DOI：
10.1021/ac000540e
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发表时间：
2000-11-01
影响因子：
7.4
通讯作者：
Brodbelt, JS
中科院分区：
文献类型：
--
作者：
Kempen, EC;Brodbelt, JS
提出了一种电喷雾质谱测定结合常数的新方法。在添加第二主体或客体之前和之后监测具有已知log K值的参考复合物的强度。基于参比复合物强度的变化和校准曲线的外推，然后使用一组联立平衡方程推导出目标复合物的log K值。几个冠醚碱金属阳离子配合物，以前研究的结合常数进行了测定，以验证这一战略。还测定了二苯并-16-冠-5及其对称氧基乙酸酯衍生物与Na ~+或K ~+络合物的Log K值。
A new method for the determination of binding constants using electrospray ionization mass spectrometry is presented. The intensity of a reference complex with a known log K value is monitored before and after addition of a second host or guest. On the basis of the change in intensity of the reference complex and extrapolation from a calibration curve, the log K value is then derived for the complex of interest using a set of simultaneous equilibrium equations. Binding constants of several crown ether-alkali metal cation complexes that were previously studied were determined to validate this strategy. Log K values for complexes involving dibenzo-16-crown-5 and its sym-oxyacetate derivative with Na+ or K+ were also determined.