光谱滴定曲线的定量热力学分析
Quantitative Thermodynamic Analyses of Spectroscopic Titration Curves.
作者信息
Bujalowski Wlodzimierz, Jezewska Maria J
机构信息
Department of Obstetrics and Gynecology, The Sealy Center for Structural Biology, Sealy Center for Cancer Cell Biology, The University of Texas Medical Branch at Galveston, 301 University Boulevard, Galveston, Texas 77555-1053.
Department of Biochemistry and Molecular Biology, The Sealy Center for Structural Biology, Sealy Center for Cancer Cell Biology, The University of Texas Medical Branch at Galveston, 301 University Boulevard, Galveston, Texas 77555-1053.
出版信息
J Mol Struct. 2014 Dec 5;1077:40-50. doi: 10.1016/j.molstruc.2014.04.041.
Elucidation of ligand - macromolecule interactions requires detailed knowledge of energetics of the formed complexes. Spectroscopic methods are most commonly used in characterizing molecular interactions in solution. The methods do not require large quantities of material and most importantly, do not perturb the studied reactions. However, spectroscopic methods absolutely require the determination of the relationship between the observed signal and the degree of binding in order to obtain meaningful interaction parameters. In other words, the meaningful, thermodynamic interaction parameters can be only determined if the relationship between the observed signal and the degree of binding is determined and not assumed, based on an model of the relationship. The approaches discussed here allow an experimenter to quantitatively determine the degree of binding and the free ligand concentration, ., they enable to construct thermodynamic binding isotherms in a model-independent fashion.
阐明配体与大分子之间的相互作用需要详细了解所形成复合物的能量学。光谱方法最常用于表征溶液中的分子相互作用。这些方法不需要大量材料，最重要的是，不会干扰所研究的反应。然而，光谱方法绝对需要确定观察到的信号与结合程度之间的关系，以便获得有意义的相互作用参数。换句话说，只有在确定而不是基于关系模型假设观察到的信号与结合程度之间的关系时，才能确定有意义的热力学相互作用参数。这里讨论的方法使实验者能够定量确定结合程度和游离配体浓度，即，它们能够以与模型无关的方式构建热力学结合等温线。
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