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Calculating the degradation kinetic parameters of thiamine by the isothermal version of the endpoints method

机译：用等温终点法计算硫胺素的降解动力学参数

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Thiamine (vitamin B-1)'s degradation during thermal processing and storage of foods is known to follow first order kinetics, where the rate constant's temperature-dependence can be described by the two-parameter Arrhenius equation. In agreement with previous reports, a simpler two-parameter exponential model could replace the Arrhenius equation in thiamine degradation without sacrificing the fit. Theoretically, the exponential model's two parameters can be estimated from the concentration ratios after two isothermal exposures by solving a pair of simultaneous nonlinear algebraic equations of which they are the two unknowns. Once calculated, these two parameters can be used to reconstruct the entire degradation curves to which the two endpoints belonged, and to predict those at any other exposure in a pertinent temperature range. The concept and mathematical calculation procedure were implemented in a freely downloadable interactive Wolfram Demonstration, with which the user solves the equations by moving sliders on the screen to match the reconstructed degradation curves with the experimental endpoints. The method was tested with computer simulations and with published experimental data on thiamine's degradation in a model solution, beef, pasta and salmon, over large temperature ranges and exposure times, and validated by comparing thiamine's predicted final concentration ratios with those reported at temperatures not used in the kinetic parameters calculation. The described method and interactive calculation program can facilitate and economize the study of thiamine degradation in stored foods by eliminating the need to record entire sets of isothermal degradation curves. (C) 2015 Elsevier Ltd. All rights reserved.
机译：硫胺素（维生素B-1）在食品的热处理和存储过程中的降解遵循一级动力学，其中速率常数的温度依赖性可以通过两参数阿伦尼乌斯方程来描述。与先前的报告一致，在硫胺素降解中，更简单的两参数指数模型可以代替Arrhenius方程而不牺牲拟合。从理论上讲，指数模型的两个参数可以通过两次等温暴露后求解的一对同时存在的两个非线性代数方程，由两个未知数的浓度比来估算。一旦计算，这两个参数可用于重建两个端点所属的整个降解曲线，并预测在相关温度范围内任何其他暴露下的降解曲线。该概念和数学计算过程在可免费下载的交互式Wolfram演示中实现，用户可通过移动屏幕上的滑块以使重建的降解曲线与实验终点匹配来求解方程。该方法通过计算机模拟进行测试，并使用公开的实验数据在较大的温度范围和暴露时间下在模型溶液，牛肉，面食和鲑鱼中硫胺素的降解进行了测试，并通过比较硫胺素的预测最终浓度比与未使用温度下报道的硫胺素的最终浓度比进行了验证。在动力学参数计算中。所描述的方法和交互式计算程序通过消除记录整个等温降解曲线集的需要，可以促进和节约存储食品中硫胺素降解的研究。 （C）2015 Elsevier Ltd.保留所有权利。

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