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Chemical and biochemical thermodynamics reunification (IUPAC Technical Report)
Pure and Applied Chemistry ( IF 2.0 ) Pub Date : 2021-02-01 , DOI: 10.1515/pac-2019-0908
Antonio Sabatini 1 , Marco Borsari 2 , Gerard P. Moss 3 , Stefano Iotti 4, 5
Affiliation  

According to the 1994 IUBMB-IUPAC Joint Commission on Biochemical Nomenclature (JCBN) on chemical and biochemical reactions, two categories of thermodynamics, based on different concepts and different formalisms, are established: (i) chemical thermodynamics, which employ conventional thermodynamic potentials to deal with chemical reactions [1], [2], [3]; and (ii) biochemical thermodynamics, which employ transformed thermodynamic quantities to deal with biochemical reactions based on the formalism proposed by Alberty [4], [5], [6], [7]. We showed that the two worlds of chemical and biochemical thermodynamics, which so far have been treated separately, can be reunified within the same thermodynamic framework. The thermodynamics of chemical reactions, in which all species are explicitly considered with their atoms and charge balanced, are compared with the transformed thermodynamics generally used to treat biochemical reactions where atoms and charges are not balanced. The transformed thermodynamic quantities suggested by Alberty are obtained by a mathematical transformation of the usual thermodynamic quantities. The present analysis demonstrates that the transformed values for Δ r G ′ 0 and Δ r H ′ 0 can be obtained directly, without performing any transformation, by simply writing the chemical reactions with all the pseudoisomers explicitly included and the elements and charges balanced. The appropriate procedures for computing the stoichiometric coefficients for the pseudoisomers are fully explained by means of an example calculation for the biochemical ATP hydrolysis reaction. It is concluded that the analysis reunifies the “two separate worlds” of conventional thermodynamics and transformed thermodynamics.

中文翻译:

化学和生化热力学统一(IUPAC技术报告)

根据1994年IUBMB-IUPAC生化命名联合委员会(JCBN)的化学和生化反应,根据不同的概念和不同的形式,建立了两类热力学:(i)化学热力学,它利用常规的热力学势来处理具有化学反应[1],[2],[3];(ii)生化热力学,它基于Alberty [4],[5],[6],[7]提出的形式主义,利用变换后的热力学量来处理生化反应。我们表明,迄今为止已经分别处理过的化学和生化热力学两个世界可以在同一热力学框架内统一。化学反应的热力学,其中所有物种均经过原子和电荷平衡的明确考虑,将其与通常用于处理原子和电荷不平衡的生化反应的转化热力学进行比较。Alberty建议的转换后的热力学量是通过对通常的热力学量进行数学转换而获得的。本分析表明,通过简单地编写具有明确包括的所有假异构体并且平衡元素和电荷的化学反应,可以直接获得Δr G'0和Δr H'0的变换值,而无需执行任何变换。通过对生化ATP水解反应的示例计算,充分解释了计算拟异构体化学计量系数的适当程序。
更新日期:2021-03-17
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