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基于人工神经网络比较拉曼光谱和近红外成像在预测缓释片体外溶出曲线方面的性能

Comparing the Performance of Raman and Near-Infrared Imaging in the Prediction of the In Vitro Dissolution Profile of Extended-Release Tablets Based on Artificial Neural Networks.

作者信息

Galata Dorián László, Gergely Szilveszter, Nagy Rebeka, Slezsák János, Ronkay Ferenc, Nagy Zsombor Kristóf, Farkas Attila

机构信息

Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Hungary.

Department of Applied Biotechnology and Food Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Hungary.

出版信息

Pharmaceuticals (Basel). 2023 Sep 1;16(9):1243. doi: 10.3390/ph16091243.

Abstract

In this work, the performance of two fast chemical imaging techniques, Raman and near-infrared (NIR) imaging is compared by utilizing these methods to predict the rate of drug release from sustained-release tablets. Sustained release is provided by adding hydroxypropyl methylcellulose (HPMC), as its concentration and particle size determine the dissolution rate of the drug. The chemical images were processed using classical least squares; afterwards, a convolutional neural network was applied to extract information regarding the particle size of HPMC. The chemical images were reduced to an average HPMC concentration and a predicted particle size value; these were used as inputs in an artificial neural network with a single hidden layer to predict the dissolution profile of the tablets. Both NIR and Raman imaging yielded accurate predictions. As the instrumentation of NIR imaging allows faster measurements than Raman imaging, this technique is a better candidate for implementing a real-time technique. The introduction of chemical imaging in the routine quality control of pharmaceutical products would profoundly change quality assurance in the pharmaceutical industry.

摘要

在本研究中,通过利用拉曼和近红外(NIR)成像这两种快速化学成像技术预测缓释片中药物的释放速率,对它们的性能进行了比较。通过添加羟丙基甲基纤维素(HPMC)实现缓释,因为其浓度和粒径决定了药物的溶解速率。使用经典最小二乘法处理化学图像;之后,应用卷积神经网络提取有关HPMC粒径的信息。将化学图像简化为平均HPMC浓度和预测的粒径值;将这些用作具有单个隐藏层的人工神经网络的输入,以预测片剂的溶出曲线。近红外和拉曼成像均产生了准确的预测。由于近红外成像仪器比拉曼成像允许更快的测量,因此该技术是实施实时技术的更好选择。将化学成像引入药品常规质量控制将深刻改变制药行业的质量保证。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc8c/10534500/bc2ad7af2e00/pharmaceuticals-16-01243-g001.jpg

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