利用光学测量确定复杂主客体平衡中结合常数和对映体过量的算法。
Algorithms for the determination of binding constants and enantiomeric excess in complex host : guest equilibria using optical measurements.
作者信息
Hargrove Amanda E, Zhong Zhenlin, Sessler Jonathan L, Anslyn Eric V
机构信息
Department of Chemistry and Biochemistry, The University of Texas at Austin, 1 University Station A5300, Austin, TX, 78712, USA.
出版信息
New J Chem. 2010;34(2):348-354. doi: 10.1039/b9nj00498j.
Abstract
The determination of binding constants is central to many areas of research, supramolecular chemistry in particular. Traditional nonlinear regression analysis, however, cannot be applied to complex systems unless certain assumptions are undertaken, which often limits the reliability of such calculations. Our group has developed an iterative method using commercial software that allows for the rigorous determination of binding constants in a variety of systems, including 1 : 2 complexes, indicator displacement assays, and enantioselective indicator displacement assays. The improved accuracy of the values obtained in the latter case, in turn, allows for a more precise determination of ee in competitive equilibria.
摘要
结合常数的测定是许多研究领域的核心，尤其是超分子化学。然而，传统的非线性回归分析除非做出某些假设，否则无法应用于复杂体系，这常常限制了此类计算的可靠性。我们团队开发了一种使用商业软件的迭代方法，该方法能够严格测定各种体系中的结合常数，包括1:2配合物、指示剂置换分析和对映选择性指示剂置换分析。后一种情况下所获得值的准确性提高，进而使得在竞争平衡中能够更精确地测定对映体过量（ee）。
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Two methods for the determination of enantiomeric excess and concentration of a chiral sample with a single spectroscopic measurement.通过单次光谱测量测定手性样品对映体过量和浓度的两种方法。
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Guidelines in implementing enantioselective indicator-displacement assays for alpha-hydroxycarboxylates and diols.α-羟基羧酸盐和二醇对映选择性指示剂置换测定法的实施指南。
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