生化物质溶液的平衡组成和生化反应的热效应。
Equilibrium compositions of solutions of biochemical species and heats of biochemical reactions.
作者信息
Alberty R A
机构信息
Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
出版信息
Proc Natl Acad Sci U S A. 1991 Apr 15;88(8):3268-71. doi: 10.1073/pnas.88.8.3268.
Equilibrium compositions of solutions of biochemical species can be calculated by use of general equilibrium computer programs that minimize the Gibbs energy. The standard Gibbs energies of formation and standard enthalpies of formation of the species in a biochemical system can be calculated by Gaussian reduction of the augmented transpose of the stoichiometric number matrix for the system. The conservation matrix, which is also needed for the calculation of the equilibrium composition, can be obtained in two ways. The hydrolysis of adenosine 5'-triphosphate in solutions containing magnesium ions can be treated by considering 17 species. The equilibrium composition and enthalpy are calculated before and after adding ATPase. This makes it possible to calculate DeltapH, DeltapMg, and the heat of reaction when ATPase is added.
生化物质溶液的平衡组成可通过使用使吉布斯自由能最小化的通用平衡计算机程序来计算。生化系统中各物质的标准生成吉布斯自由能和标准生成焓可通过对该系统化学计量数矩阵的增广转置进行高斯约化来计算。计算平衡组成所需的守恒矩阵可通过两种方式获得。含镁离子溶液中腺苷5'-三磷酸的水解可通过考虑17种物质来处理。在添加ATP酶之前和之后计算平衡组成和焓。这使得在添加ATP酶时能够计算ΔpH、ΔpMg和反应热。
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