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Measurement and prediction of solubility of paracetamol in water-isopropanol solution. Part 1. Measurement and data analysis

机译:对乙酰氨基酚在水-异丙醇溶液中的溶解度的测量和预测。第1部分。测量和数据分析

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摘要

An attempt has been made to measure the concentration of paracetamol (98%, Aldrich Chemical Co. Inc., MO) in different solutions using an in situ ATR-FTIR device and chemometrics. A partial least-squares (PLS1) algorithm has been applied to construct two calibration models for paracetamol concentration, water mass percent, and temperature. The models and errors have been analyzed using validation data sets and diagnostic tools. The models are then used to evaluate the solubility of paracetamol (PA) in pure isopropanol, pure water, and isopropanol-water mixtures in the temperature range 5-40 degrees C. The solubility of paracetamol in isopropanol-water mixtures shows a maximum at almost 20 water mass percent. For some selected data points, the measured solubility by the FTIR is in good agreement with the corresponding solubility measured using the gravimetric method. Also the solubility in pure isopropanol and water is in reasonable agreement with the data reported in the literature.
机译:尝试使用原位ATR-FTIR装置和化学计量学在不同溶液中测量对乙酰氨基酚(98%,Aldrich Chemical Co. Inc.,MO)的浓度。已应用偏最小二乘(PLS1)算法来构建对乙酰氨基酚浓度,水质量百分比和温度的两个校准模型。使用验证数据集和诊断工具对模型和错误进行了分析。然后将模型用于评估对乙酰氨基酚(PA)在5-40摄氏度温度范围内的纯异丙醇,纯水和异丙醇-水混合物中的溶解度。对乙酰氨基酚在异丙醇-水混合物中的溶解度在几乎20水的质量百分比。对于某些选定的数据点,通过FTIR测得的溶解度与使用重量分析法测得的相应溶解度非常吻合。在纯异丙醇和水中的溶解度也与文献报道的数据合理地吻合。

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