在 37°C 下对水中酚酸的溶解度进行建模。
Modeling the Solubility of Phenolic Acids in Aqueous Media at 37 °C.
机构信息
Department of Chemistry and Chemical Technologies, University of Calabria, 87036 Arcavacata di Rende, CS, Italy.
Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, 87036 Arcavacata di Rende, CS, Italy.
出版信息
Molecules. 2021 Oct 28;26(21):6500. doi: 10.3390/molecules26216500.
In this work, the solubility of vanillic, gallic, syringic, -coumaric, ferulic and caffeic acids was determined at 37 °C under different conditions, namely pure water and two different ionic media, NaCl(aq) and NaClO(aq), at different ionic strengths (i.e., 0.16, 0.50, 1.0, 2.0 and 3.0 M). The solubility in water of all the acids was found to be higher than that in both of the ionic media. Moreover, the solubility of hydroxycinnamic acids was lower than that of hydroxybenzoic acids. The activity coefficients of neutral species were calculated from these data; this knowledge is necessary when modeling the dependence of equilibrium constants on the ionic strength. Results obtained in this work can be useful for further studies regarding complex formation equilibria between these ligands and bioavailable metal cations.
在这项工作中，我们在 37°C 下，于不同条件下（纯水以及两种不同的离子介质 NaCl(aq)和 NaClO(aq)，离子强度分别为 0.16、0.50、1.0、2.0 和 3.0 M），测定了香草酸、没食子酸、丁香酸、香豆酸、阿魏酸和咖啡酸的溶解度。所有酸在水中的溶解度均高于两种离子介质中的溶解度。此外，羟基肉桂酸的溶解度低于羟基苯甲酸。这些数据可用于计算中性物种的活度系数；当模型化平衡常数对离子强度的依赖性时，这一知识是必要的。本工作的结果可用于进一步研究这些配体与生物可利用的金属阳离子之间的配合物形成平衡。
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