等温滴定量热法
滴定法
分析物
可靠性(半导体)
等温过程
化学
曲线拟合
分析化学(期刊)
量热法
乙状窦函数
价值(数学)
热力学
生物系统
统计
数学
色谱法
计算机科学
物理化学
物理
功率(物理)
机器学习
生物
人工神经网络
作者
Junjie Chen,Wenjing Tian,Yun Ye,Yingpu Tian,Cuiling Sun,Rong Ding,Haifeng Chen
标识
DOI:10.1016/j.abb.2021.109045
摘要
The standard isothermal titration calorimetry (ITC) curve, characterized as a typical sigmoid is strictly confined by the so-called c value, which is a ratio of titrand concentration to KD. The proper c value with a range from 5 to 500 is commonly recommended as a standard protocol in routine detection process for acquiring the reliable fitting results in 1:1 binding mode. However, if the c value is less than "1" due to the weak binding or low concentration of analyte, fitting precision gets unstable and susceptible to the data noise. Herein, we first got a deep discussion into the reliability of the fitting procedure for 1:1 binding mode by data simulation, then quantized the effect of several affecting factors on the precision of parameters estimation through mathematical analysis. Finally, we proposed the value of 2~4 times KD for final ligand concentration is optimal for the ITC titration in low c system (c < 1). All the theoretical derivations were further verified by a practical experiment of Magnesium-EDTA binding test.
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