Application of the adaptive Monte Carlo method for uncertainty evaluation in the determination of total testosterone in human serum by triple isotope dilution mass spectrometry.

IF 3.8 2区 化学 Q1 BIOCHEMICAL RESEARCH METHODS
Analytical and Bioanalytical Chemistry Pub Date : 2024-08-01 Epub Date: 2024-06-19 DOI:10.1007/s00216-024-05380-z
Gongcheng Liu, Huimin Wang, Yanlin Han, Chunlong Liu, Man Liang
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Abstract

The measurement uncertainty is a crucial quantitative parameter for assessing the reliability of the result. The study aimed to propose a new budget for uncertainty evaluation of a reference measurement procedure for the determination of total testosterone in human serum. The adaptive Monte Carlo method (aMCM) was used for the propagation of probability distributions assigned to various input quantities to determine the uncertainty of the testosterone concentration. The basic principles of the propagation and the statistical analysis were described based on the experimental results of the quality control serum sample. The analysis of the number of Monte Carlo trials was discussed. The procedure of validation of the GUM uncertainty framework using the aMCM was also provided. The number of Monte Carlo trials was 2.974 × 106 when the results had stabilized. The total testosterone concentration was 16.02 nmol/L, and the standard uncertainty was 0.30 nmol/L. The coverage interval at coverage probability of 95% was 15.45 to 16.62 nmol/L, while the probability distribution for testosterone concentration was approximately described by a Gaussian distribution. The validation of results was not passed as the expanded uncertainty result obtained by the aMCM was slightly lower, about 7%, than that by the GUM uncertainty framework with consistent results of the concentration.

Abstract Image

应用自适应蒙特卡洛法对三重同位素稀释质谱法测定人血清中总睾酮的不确定性进行评估。
测量不确定度是评估结果可靠性的一个重要定量参数。本研究旨在为测定人体血清中总睾酮的参考测量程序的不确定性评估提出一种新的预算。采用自适应蒙特卡罗方法 (aMCM) 传播分配给各种输入量的概率分布,以确定睾酮浓度的不确定性。根据质量控制血清样本的实验结果,描述了传播和统计分析的基本原理。讨论了蒙特卡罗试验次数的分析。还提供了使用 aMCM 验证 GUM 不确定性框架的程序。当结果稳定时,蒙特卡罗试验次数为 2.974 × 106。总睾酮浓度为 16.02 nmol/L,标准不确定性为 0.30 nmol/L。覆盖概率为 95% 时的覆盖区间为 15.45 至 16.62 nmol/L,而睾酮浓度的概率分布近似于高斯分布。由于 aMCM 得出的扩展不确定度结果比 GUM 不确定度框架得出的结果略低(约 7%),且浓度结果一致,因此未通过结果验证。
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来源期刊
CiteScore
8.00
自引率
4.70%
发文量
638
审稿时长
2.1 months
期刊介绍: Analytical and Bioanalytical Chemistry’s mission is the rapid publication of excellent and high-impact research articles on fundamental and applied topics of analytical and bioanalytical measurement science. Its scope is broad, and ranges from novel measurement platforms and their characterization to multidisciplinary approaches that effectively address important scientific problems. The Editors encourage submissions presenting innovative analytical research in concept, instrumentation, methods, and/or applications, including: mass spectrometry, spectroscopy, and electroanalysis; advanced separations; analytical strategies in “-omics” and imaging, bioanalysis, and sampling; miniaturized devices, medical diagnostics, sensors; analytical characterization of nano- and biomaterials; chemometrics and advanced data analysis.
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