铁、钙、锌金属离子与维生素B9和甘氨酸之间的稳定常数和络合形成平衡

A. Fazary, A. Ramadan
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引用次数: 16

摘要

采用电位滴定法研究了叶酸(FA)和甘氨酸(Gly)在室温(约298.15 K)和固定离子强度(0.15 mol.dm−3 NaNO3)条件下的络合平衡。利用Hyperquad 2008计算机程序计算了FA和Gly的三价铁(Fe3+)、亚铁(Fe2+)、钙(Ca2+)和锌(Zn2+)络合物形成能力及其在水溶液中的总体稳定常数。根据测定的金属配合物稳定常数,利用HySS 2009软件估计了溶液中FA和Gly的各种金属离子配合物的浓度分布。对复杂的物种分布图进行了解释和讨论。利用Gaussian 09软件进行分子建模和计算,对所形成的配合物的吉布斯自由能和分子结构进行了评价和预测。图形抽象
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Stability constants and complex formation equilibria between iron, calcium, and zinc metal ions with vitamin B9 and glycine
The complexation equilibria of folic acid (FA) and glycine (Gly) were studied in aqueous solutions at room temperature (ca. 298.15 K) and in fixed ionic strength (0.15 mol.dm−3 NaNO3), by means of potentiometry technique. The ferric (Fe3+), ferrous (Fe2+), calcium (Ca2+), and zinc (Zn2+) complex-forming capacities of FA and Gly, and their overall stability constants in aqueous solutions were obtained by applying the potentiometric data in Hyperquad 2008 computer program. From the determined stability constants of the metal complex species, the concentration distribution of the various metal ion complex species involving FA and Gly in solutions was estimated using HySS 2009 software. The complex species distribution diagrams were explained and discussed. Supplementary, the Gibbs free energies and the molecular structures of the formed complexes were evaluated and predicted using Gaussian 09 software molecular modeling and calculations. GRAPHICAL ABSTRACT
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