Spectroscopic analysis of pharmaceutical formulations through the use of chemometric tools

N. Ornelas-Soto, O. Barbosa-García, M. Meneses-Nava, G. Ramos‐Ortiz, J. Pichardo-Molina, J. Maldonado, U. Contreras, L. López-Martínez, P. López-de-Alba, F. López-Barajas
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Abstract

In this work, fast and reliable spectroscopic methods in combination with chemometric tools were developed for simultaneous determination of Acetylsalicylic Acid, Acetaminophen and Caffeine in commercial formulations. For the first-order multivariate calibration method (PLS-1), calibration and validation sets were constructed with 23 and 10 samples respectively according to a central composite design. The Micro-Raman, FTIR-HATR and UV absorption spectra in the region of 100-2000 cm-1, 400-4400 cm-1 and 200-350 nm, respectively, were recorded. The % REP's (Percentage of relative error of prediction) was less than 18 for all used spectroscopic techniques. Subsequently, commercial pharmaceutical samples were analyzed with percentage of recovery between 90 and 117% for the three compounds.
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通过使用化学计量工具对药物配方进行光谱分析
本研究建立了快速、可靠的光谱分析方法,结合化学计量学工具同时测定商业制剂中乙酰水杨酸、对乙酰氨基酚和咖啡因的含量。一阶多元校正法(PLS-1)采用中心组合设计,分别构建了23个样本的校正集和10个样本的验证集。测定了样品在100 ~ 2000 cm-1、400 ~ 4400 cm-1和200 ~ 350 nm范围内的微拉曼吸收光谱、红外光谱和紫外吸收光谱。所有使用的光谱技术的REP %(预测的相对误差百分比)都小于18。随后,对商业药物样品进行了分析,三种化合物的回收率在90 ~ 117%之间。
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