Scientific PapersEstablishment and Application of a Near Infrared Spectral Database for Pharmaceutical Excipients of Chinese Medicine Oral Solid Dosage Forms
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Scientific PapersEstablishment and Application of a Near Infrared Spectral Database for Pharmaceutical Excipients of Chinese Medicine Oral Solid Dosage Forms
Vol. 40, Issue 1, Pages: 1-9(2021)
作者机构:
1. 北京中医药大学中药信息学系
2. 北京市科委中药生产过程控制与质量评价北京市重点实验室
3. 教育部中药制药与新药开发关键技术工程研究中心
4. 北京康仁堂药业有限公司
5. 中药配方颗粒关键技术国家地方联合工程研究中心
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Scientific PapersEstablishment and Application of a Near Infrared Spectral Database for Pharmaceutical Excipients of Chinese Medicine Oral Solid Dosage Forms. [J]. 40(1):1-9(2021)
DOI:
Scientific PapersEstablishment and Application of a Near Infrared Spectral Database for Pharmaceutical Excipients of Chinese Medicine Oral Solid Dosage Forms. [J]. 40(1):1-9(2021)DOI:
Scientific PapersEstablishment and Application of a Near Infrared Spectral Database for Pharmaceutical Excipients of Chinese Medicine Oral Solid Dosage Forms
A near infrared(NIR) spectral database for pharmaceutical powders of Chinese medicine oral solid dosage forms was established,and the application of NIR spectral data in material classification and material properties prediction was studied by pattern recognition method.NIR diffuse reflectance spectra for 149 batches of pharmaceutical powders were rapidly measured with portable near infrared spectrometer,and the NIR spectral data were input into the intelligent traditional Chinese medicine(iTCM) database.Principal component analysis(PCA) method was used to explore the classification ability of NIR spectral data for materials with known structures.Partial least squares(PLS) method was used to study the prediction ability of NIR spectra on the material properties of pharmaceutical powders and tablet properties in direct compression.The NIR spectra pretreated by standard normal variable transformation(SNV)+Savitzky-Golay(SG) smoothing+first derivative exhibited a good discrimination ability for five kinds of excipients,i.e.microcrystalline cellulose,lactose,ethyl cellulose,polyvinylpolypyrrolidone and hydroxypropyl methylcellulose.NIR spectra had a strong correlation with particle size,density and hygroscopicity.NIR spectral information could be used as a supplement for the material properties,which could improve the performance of the prediction model for tablet properties in direct compression.Meanwhile,NIR spectral data were also a kind of supplement for the material properties data of iTCM database.The combination of material properties and NIR spectral data could be used to comprehensively characterize the properties of pharmaceutical excipients.
关键词
近红外光谱法数据库物性表征模式识别药用辅料中药浸膏粉
Keywords
near infrared spectroscopydatabasematerial characterizationpattern recognitionpharmaceutical excipientsChinese medicine extract powders