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The enthalpy of formation of methionine revisited~?

机译:再谈蛋氨酸的形成焓。

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Methionine (2-amino-4-(methylthio)butanoic acid) is a sulfur-containing essential α-amino acid. Despite its importance, its enthalpy of formation is contentious. From the analysis of its polymorphism confirms that the previously reported calorimetric experiments were made in the temperature interval in which a phase transitions occurs. A new value for the enthalpy of formation is suggested based on these results, as well as G4 quantum chemical calculations and thermochemical estimates. From the analysis of experimental enthalpy of formation measurements, the group increment temperature adjusted enthalpy of sublimation, quantum chemical calculations, and difference quantity derived estimates, our recommended value for the gas phase enthalpy of formation of methionine is -(430 ±10) kJ mol~(-1).
机译:蛋氨酸(2-氨基-4-(甲硫基)丁酸)是一种含硫的必需α-氨基酸。尽管它很重要,但它的形成焓却是有争议的。从其多态性的分析证实,先前报道的量热实验是在发生相变的温度区间内进行的。根据这些结果以及G4量子化学计算和热化学估计值,提出了一个新的形成焓值。通过对实验地层焓的分析,基团增量温度调整的升华焓,量子化学计算和差量导出的估计值,我们推荐的蛋氨酸气相焓的推荐值为-(430±10)kJ mol 〜(-1)。

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