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A practical method to evaluate major statistical errors in isothermal titration calorimetry
Thermochimica Acta ( IF 3.5 ) Pub Date : 2020-07-01 , DOI: 10.1016/j.tca.2020.178626
Xiujie Ge , Dexing Li , Lan Chen , Renxiao Liu , Guanglu Ge

Abstract Continuous efforts have been devoted to improve the accuracy and reliability of isothermal titration calorimetry (ITC) in terms of instrumental design, modeling and data processing. Among various factors, background noise, proportional error and injection volume error lead to heteroscedasticity (non-constant variance) of the titration heat. The variance function method provides an efficient way to estimate the non-constant variance and weight of the titration heat. Following this approach, in this work, the heat residual recorded by calorimeter model of Nano ITC Standard Volume was examined in detail. Based on the CaCl2-EDTA saturated titration and water blank titration, 9 heat variances, each from 60 injections, have been analyzed, which provide reliable information about the variance function. The major statistical errors for general titrations were estimated and the non-constant variance distribution of typical titration (BaCl2 to 18-Crown-6) was successfully predicted.

中文翻译:

评估等温滴定量热法主要统计误差的实用方法

摘要 在仪器设计、建模和数据处理方面,一直致力于提高等温滴定量热法(ITC)的准确性和可靠性。在各种因素中,背景噪声、比例误差和进样量误差导致滴定热的异方差性(非恒定方差)。方差函数法提供了一种估算滴定热的非恒定方差和权重的有效方法。遵循这种方法,在这项工作中,详细检查了纳米 ITC 标准体积的热量计模型记录的热量残留。基于 CaCl2-EDTA 饱和滴定和水空白滴定,分析了 9 个热方差,每个来自 60 次进样,提供了有关方差函数的可靠信息。
更新日期:2020-07-01
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