Elderberry syrup buffer modeling data

Data for the article: "Modeling the Formulation pH of Elderberry Syrup with multiple weak acids", https://doi.org/10.1111/1750-3841.16664. To develop methods to assess the influence of the ingredients of an acidified elderberry syrup on product pH., a total of 16 model syrup formulations containing elderberry juice with mixed acids (malic, acetic, and ascorbic) and having pH values between 3 and 4 were prepared. The pH values of the formulations were compared to predicted values from combined buffer models of the individual ingredients. Regression analysis indicated an excellent fit of the observed and predicted pH data, with a root mean square error of 0.076 pH units. The results indicated that buffer models may be useful for in silico estimates of how the ingredients in acid and acidified foods may influence pH, thus aiding in product development and safety assessments.Resources in this dataset:Resource Title: Elderberry syrup buffer modeling data File Name: Tables S1 and S2 Buffer modeling data.xlsx Resource Description: The concentration and pK values for each buffer of a mixture of elderberry syrup ingredients. The formulation mixtures are described in the article "Modeling the Formulation pH of Elderberry Syrup with multiple weak acids" https://doi.org/10.1111/1750-3841.16664.

本文数据集涉及文章《通过多种弱酸建模接骨木糖浆的配方pH》的相关数据，该文发表于https://doi.org/10.1111/1750-3841.16664。为评估酸性接骨木糖浆中成分对产品pH的影响，研究者制备了16种模型糖浆配方，其中包含接骨木果汁与混合酸（苹果酸、乙酸和抗坏血酸）的混合物，其pH值介于3至4之间。这些配方的pH值与单一成分的联合缓冲模型预测值进行了比较。回归分析显示，观察到的pH值与预测值之间具有极佳的拟合度，均方根误差为0.076 pH单位。结果表明，缓冲模型可能有助于通过计算机模拟估算酸性及酸性食品中的成分如何影响pH，从而促进产品开发与安全性评估。本数据集包含的资源：
资源标题：接骨木糖浆缓冲模型数据
文件名：表格S1和S2缓冲模型数据.xlsx
资源描述：接骨木糖浆成分混合物中每个缓冲剂的浓度和pK值。配方混合物在文章《通过多种弱酸建模接骨木糖浆的配方pH》中有所描述，详见https://doi.org/10.1111/1750-3841.16664。