title: Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: a case study on precipitation.
abstract: Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T(2) and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.
authors.affiliation: Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.
authors.forename: Shanshan
authors.initials: S
authors.lastname: Zeng
authors.forename: Teng
authors.initials: T
authors.lastname: Chen
authors.forename: Lu
authors.initials: L
authors.lastname: Wang
authors.forename: Haibin
authors.initials: H
authors.lastname: Qu
mesh_terms: D011232:Chemical Precipitation; D004365:Drugs, Chinese Herbal / Q000737:chemistry* / Q000592:standards; D013058:Mass Spectrometry / Q000379:methods*; D008516:Medicine, Chinese Traditional / Q000592:standards; D015999:Multivariate Analysis; D010618:Phenanthrolines / Q000737:chemistry* / Q000592:standards; D025341:Principal Component Analysis; D015203:Reproducibility of Results; D027561:Salvia miltiorrhiza / Q000737:chemistry*
chemical_list: D004365:Drugs, Chinese Herbal; D010618:Phenanthrolines; C028972:dan-shen root extract