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Rapid discrimination of halal and non-halal pharmaceutical excipients by Fourier transform infrared spectroscopy and chemometrics

机译:通过傅里叶变换红外光谱和化学测量学快速辨别清真和非清真药物赋形剂

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Introduction: The appendage of “halal” to a product is not just a guarantee that the product is permitted for Muslims, but it has also become favorable lifestyle choice globally. However, the expansion of halal pharmaceutical market was hindered by lack of global halal standards for pharmaceutical ingredients and product integrity analytical methodology. Objective: This work aimed to explore the possibility of using Fourier-transform infrared (FTIR) spectroscopy and chemometrics to develop multivariate models to authenticate the “halal-ity” of pharmaceutical excipients with controversial halal status (e.g., magnesium stearate). Materials and Methods: The FTIR spectral fingerprints of the substance were used to build principal component analysis (PCA) models. The effects of different spectral pretreatment processes such as auto-scaling, baseline correction, standard normal variate (SNV), first, and second derivatives were evaluated. The optimization of the model performance was established to ensure the sensitivity, specificity, and accuracy of the predicted models. Results: Significant peaks corresponding to the properties of the compound were identified. For both bovine and plant-derived magnesium stearate, the peaks associated can be seen within the regions 2900?cm -1 (C–H), 2800?cm -1 (CH 3 ), 1700?cm -1 (C=O), and 1000–1300?cm -1 (C–O). There was not much difference observed in the FTIR raw spectra of the samples from both sources. The quality and accuracy of the classification models by PCA and soft independent modeling classification analogy (SIMCA) have shown to improve using spectra optimized by first derivative followed by SNV smoothing. Conclusion: This rapid and cost-effective technique has the potential to be expanded as an authentication strategy for halal pharmaceuticals.
机译:简介:“清真”对产品的附件不仅是保证穆斯林允许的产品,但它也成为全球有利的生活方式选择。然而,由于药物成分和产品完整性分析方法缺乏全球清真标准,阻碍了清真药物市场的扩张。目的:这项工作旨在探讨使用傅里叶变换红外(FTIR)光谱和化学测定学的可能性,以开发多元模型,以验证药物赋形剂的“Halal-Ity”,以争议的清真状态(例如,硬脂酸镁)。材料和方法:物质的FTIR光谱指纹用于构建主成分分析(PCA)模型。评估了不同光谱预处理方法的影响,例如自动缩放,基线校正,标准正常变化(SNV),首先和第二衍生物。建立了模型性能的优化,以确保预测模型的灵敏度,特异性和准确性。结果:鉴定了对应于化合物的性质的显着峰。对于牛和植物衍生的镁硬脂酸镁,可以在区域2900?cm -1(C-H),2800〜cm -1(CH 3),1700〜cm -1(C = O)中看到相关的峰值,1000-1300?cm -1(C-O)。在来自两个来源的样品的FTIR原始光谱中观察到没有太大的差异。 PCA和软独立建模分类类别的分类模型的质量和准确性(SIMCA)已经显示出使用首次衍生物优化的光谱,然后通过SNV平滑改善。结论:这种快速和成本效益的技术有可能被扩展为清真药品的认证策略。

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