Gamov G A
Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology, 153000 Ivanovo, Sheremetevskii pr. 7, Russia.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Mar 15;249:119334. doi: 10.1016/j.saa.2020.119334. Epub 2020 Dec 10.
The present work describes the calculation of the binding constants from spectrofluorimetric data using simple graphical methods and specialized software implementing the maximum likelihood approach. The following popular cases are analyzed: 1) protein-small molecule; 2) protein-metal complex; 3) DNA-small molecule; 4) DNA-metal complex interactions. The inability of graphical plots to return the correct results except for the simplest situation (single reaction with a non-fluorescent product) is demonstrated. The possibility of determining the most probable stoichiometric model using the maximum likelihood estimation (LSQ as its special case) is discussed as well as the limitations.
本研究描述了使用简单的图形方法和实现最大似然法的专业软件，从荧光光谱数据计算结合常数。分析了以下几种常见情况：1）蛋白质 - 小分子；2）蛋白质 - 金属络合物；3）DNA - 小分子；4）DNA - 金属络合物相互作用。结果表明，除了最简单的情况（与非荧光产物的单一反应）外，图形绘制无法得出正确结果。讨论了使用最大似然估计（LSQ作为其特殊情况）确定最可能的化学计量模型的可能性以及局限性。
