NMR Chemical Shift Methods for Binding Constant Determination of an Organic Anion and α-Cyclodextrin
NMR Chemical Shift Methods for Binding Constant Determination of an Organic Anion and α-Cyclodextrin
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用于测定有机阴离子和 α-环糊精结合常数的 NMR 化学位移方法
DOI：
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发表时间：
2002
期刊：
影响因子：
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通讯作者：
S. Neya
中科院分区：
文献类型：
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作者：
N. Funasaki;S. Ishikawa;S. Neya
提出了适合于氧化氘溶液中有机阴离子质子化学位移测量的内参化合物，并用于测定己烷-1-磺酸钠（SHS）和α-环糊精（α-CD）的结合常数。由于体积磁化率效应，甲基硫酸钠（MeS）（即外置4,4-二甲基-4-硅戊烷-1-磺酸钠（DSS））的甲基质子的化学位移随α-CD浓度线性变化。SHS甲基质子的化学位移，指的是外部DSS并对这种磁化率效应进行了修正，以及指的是内部MeS和甲醇（MeOH），提供了SHS和α-CD的可靠结合常数。因此，MeS和MeOH是有机阴离子合适的内标。本文的结果不仅为化学位移测量选择合适的内参考文献和内外标准方法提供了依据，而且也为化学位移的修正提供了依据。
Internal reference compounds suitable for proton chemical shift measurements of organic anions in deuterium oxide solutions are proposed and used to determine the binding constant of sodium hexane-1-sulfonate (SHS) and α-cyclodextrin (α-CD). The chemical shift of the methyl proton of sodium methyl sulfate (MeS), referred to external sodium 4,4-dimethyl-4-silapentane-1-sulfonate (DSS), changes linearly with the α-CD concentration, because of the volume magnetic susceptibility effect. The chemical shifts of the SHS methyl proton, referred to external DSS and corrected for this magnetic susceptibility effect, as well as referred to internal MeS and methanol (MeOH), provide reliable binding constants of SHS and α-CD. Therefore, MeS and MeOH are appropriate internal standards for organic anions. The present results serve not only for choosing appropriate internal references and the internal or external standard method for chemical shift measurements but also for correcting the chemical shift referred to an ext...