Brooks S P, Storey K B
Department of Biology, Carleton University, Ottawa, Ontario, Canada.
Anal Biochem. 1992 Feb 14;201(1):119-26. doi: 10.1016/0003-2697(92)90183-8.
A computer program that allows the preparation of buffers containing known concentrations of metal-ligand complexes at defined pH values and temperatures is described. Ligands are defined as compounds that bind metals and may include AMP, ADP, ATP, GMP, GDP, GTP, EGTA, EDTA, BAPTA, phosphate, sulfate, chloride, monocarboxylic acids, dicarboxylic acids, organophosphates, and/or citric acid. Metals may include sodium, potassium, magnesium, calcium, and/or manganese. The program uses association constants corrected for temperature and ionic strength so that solutions between 0 and 40 degrees C and between pH values of 4 and 10 can be defined. The program can perform the following: (i) calculate the concentration of all metal-ligand complexes when total metal and total ligand concentrations are known, (ii) calculate the concentration of metal ion required to make a solution of known free metal ion concentration when total ligand concentrations are known, (iii) calculate the concentration of ligand required to make a solution of known free metal ion concentration when total metal concentrations are known, and (iv) calculate the total concentrations of metal and ligand required to make a buffer of known metal-ligand concentration. Options i-iii are useful for making buffers of defined free metal ion concentrations; option iv is useful for making buffers of defined metal-nucleotide concentrations.
本文描述了一种计算机程序，该程序能够制备在特定pH值和温度下含有已知浓度金属 - 配体络合物的缓冲液。配体定义为与金属结合的化合物，可包括AMP、ADP、ATP、GMP、GDP、GTP、EGTA、EDTA、BAPTA、磷酸盐、硫酸盐、氯化物、一元羧酸、二元羧酸、有机磷酸盐和/或柠檬酸。金属可包括钠、钾、镁、钙和/或锰。该程序使用针对温度和离子强度校正的缔合常数，以便能够定义0至40摄氏度以及pH值为4至10之间的溶液。该程序可以执行以下操作：(i) 当已知总金属浓度和总配体浓度时，计算所有金属 - 配体络合物的浓度；(ii) 当已知总配体浓度时，计算制备具有已知游离金属离子浓度的溶液所需的金属离子浓度；(iii) 当已知总金属浓度时，计算制备具有已知游离金属离子浓度的溶液所需的配体浓度；以及(iv) 计算制备具有已知金属 - 配体浓度的缓冲液所需的金属和配体的总浓度。选项i - iii对于制备具有特定游离金属离子浓度的缓冲液很有用；选项iv对于制备具有特定金属 - 核苷酸浓度的缓冲液很有用。
