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利用材料数据库和数据融合方法加速高剪切湿法制粒过程模型的开发。

Using a material database and data fusion method to accelerate the process model development of high shear wet granulation.

机构信息

Department of Chinese Medicine Informatics, School of Chinese Materia Medica, Beijing University of Chinese Medicine, No.11, North Third Ring East Road, Beijing, 100029, People's Republic of China.

Beijing Key Laboratory of Chinese Medicine Manufacturing Process Control and Quality Evaluation, Beijing, 100029, People's Republic of China.

出版信息

Sci Rep. 2021 Aug 13;11(1):16514. doi: 10.1038/s41598-021-96097-x.

Abstract

High shear wet granulation (HSWG) has been wildly used in manufacturing of oral solid dosage (OSD) forms, and process modeling is vital to understanding and controlling this complex process. In this paper, data fusion and multivariate modeling technique were applied to develop a formulation-process-quality model for HSWG process. The HSWG experimental data from both literature and the authors' laboratory were fused into a single and formatted representation. A material database and material matching method were used to compensate the incomplete physical characterization of literature formulation materials, and dimensionless parameters were utilized to reconstruct process variables at different granulator scales. The exploratory study on input materials properties by principal component analysis (PCA) revealed that the formulation data collected from different articles generated a formulation library which was full of diversity. In prediction of the median granule size, the partial least squares (PLS) regression models derived from literature data only and a combination of literature data and laboratory data were compared. The results demonstrated that incorporating a small number of laboratory data into the multivariate calibration model could help significantly reduce the prediction error, especially at low level of liquid to solid ratio. The proposed data fusion methodology was beneficial to scientific development of HSWG formulation and process, with potential advantages of saving both experimental time and cost.

摘要

高剪切湿法制粒(HSWG)已广泛应用于口服固体制剂(OSD)的生产中,工艺建模对于理解和控制这一复杂过程至关重要。本文应用数据融合和多元建模技术,为 HSWG 工艺开发了配方-工艺-质量模型。融合了来自文献和作者实验室的 HSWG 实验数据,并以单一和格式化的形式表示。使用物料数据库和物料匹配方法来补偿文献配方物料不完全的物理特性描述,采用无量纲参数来重构不同制粒机规模下的工艺变量。通过主成分分析(PCA)对输入物料特性进行的探索性研究表明,来自不同文章的配方数据生成了一个充满多样性的配方库。在预测中值粒径时,比较了仅基于文献数据和文献数据与实验室数据组合得出的偏最小二乘(PLS)回归模型。结果表明,将少量实验室数据纳入多元校正模型有助于显著降低预测误差,尤其是在低液固比下。所提出的数据融合方法有利于 HSWG 配方和工艺的科学发展,具有节省实验时间和成本的潜在优势。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cd4d/8363627/6cdc1e23c8be/41598_2021_96097_Fig1_HTML.jpg

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