Université Clermont Auvergne, Université Blaise Pascal, Institut Pascal (Axe GePEB), BP 10448, F-63000 Clermont-Ferrand, France; CNRS, UMR6602, IP, F-63178 Aubière, France.
Université Clermont Auvergne, Université Blaise Pascal, Institut Pascal (Axe GePEB), BP 10448, F-63000 Clermont-Ferrand, France; CNRS, UMR6602, IP, F-63178 Aubière, France.
Bioresour Technol. 2016 Aug;213:359-368. doi: 10.1016/j.biortech.2016.02.109. Epub 2016 Mar 2.
Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures.
标准生成吉布斯自由能在生物热力学领域具有重要意义。在缺乏直接测量值的情况下，需要进行热力学计算以确定缺失的数据。对于几种生物化学物质，本研究表明，了解纯化合物（气态、固态或液态）的标准生成吉布斯自由能可用于确定相应的水溶液中的标准生成吉布斯自由能。为此，使用化学工程工具（热力学表和能够预测活度系数、溶剂化吉布斯自由能和 pKa 数据的模型），可以确定中性和带电组分在实际代谢条件下的部分化学势，即使在浓缩混合物中也是如此。
