Methodological Research On The High-throughput Analysis Of Population Quality Of Huanglian Shangqing Pills With Near Infrared Spectroscopy And Chemomethrics

Huanglian Shangqing Pills is a common Chinese patient medicine.There are lots of manufacturers producing this medicine, and up to twohundreds specifications and preparations are approved. Due to thedifferences in medicinal material’s habit, excipient, production process andproduction status, the population quality of Chinese preparations have largedifference, especially for Chinese traditional compound medicine producedby several manufacturers. This has become a crucial restraint for thedevelopment of Chinese traditional compound medicine. Hence it isnecessary to analyze and control the population quality of HuanglianShangqing Pills.Thin layer chromatography (TLC) and high performance liquidchromatography (HPLC) are two common methods for controlling thequality of Huanglian Shangqing Pills. The shortages of these two methodsare complex sample preparation, destructive and consumption of chemicalreagents. Near infrared spectroscopy (NIRS) combined with chemometric techniques can:(1) find out and extract weak characteristic information fromthe mass information contained in the characteristic spectrum or in the wholespectrum,(2) build mathematical models that can connect between thespectral characteristics and the reference,(3) and analyze complex systemswith the advantages of high-throughput, speediness and non-destruction.In this study, with near infrared diffuse reflectance spectroscopy(NIRDRS) and chemometric techniques, a high-throughput analyticalmethod was established for analyzing the population quality variances ofHuanglian Shangqing Pills in the level of preparation, manufacturer andbatch. The chemometric techniques involved in this paper includeddiscriminant analysis (DA), principal component analysis (PCA) andgeneralized variance analysis (GVA).OBJECTIVE:Establish a high-throughput method of NIRDRS to analyze thepopulation quality variances of Huanglian Shangqing Pills in the level ofpreparation, manufacturer and batch.METHODS:1. Measure the near infrared diffuse reflectance spectra of HuanglianShangqing Pills samples.2. Establish a method to analyze the population quality variances ofHuanglian Shangqing Pills:(1) DA was used for classifying the preparations of Huanglian Shangqing Pills. The performance of DA model was evaluated with correctclassification rates of calibration, validation and leave-one-outcross-validation (LOOCV). GVA was used for quantitatively presenting thepopulation quality of Huanglian Shangqing Pills between preparations.(2) DA was used for classifying the manufacturers of HuanglianShangqing Pills. The performance of DA model was evaluated with correctclassification rates of calibration, validation and LOOCV. GVA was used forquantitatively presenting the population quality of Huanglian ShangqingPills between manufacturers.(3) PCA was used for qualitatively analyzing the population quality ofHuanglian Shangqing Pills between batches. GVA was used forquantitatively presenting the population quality of Huanglian Shangqingbetween batches.RESULTS:1. NIRS combined with DA could accurately and intuitively recognizeHuanglian Shangqing Pills from different preparations, which indicated thattheir qualities were not uniform; NIRS combined with GVA couldquantitatively present the difference of Huanglian Shangqing Pills betweenpreparations.2. NIRS combined with DA could accurately and intuitively recognizeHuanglian Shangqing Pills from different manufacturers, which indicatedthat their qualities were not uniform; NIRS combined with GVA could quantitatively present the difference of Huanglian Shangqing Pills betweenmanufacturers.3. NIRS combined with PCA could intuitively present variances ofHuanglian Shangqing Pills between batches; NIRS combined with GVAcould quantitatively present the difference of Huanglian Shangqing Pillsbetween batches.CONCLUTION:The proposed method based on NIRDRS and chemometric techniquescould qualitatively and quantitatively analyze the population qualityvariances of Huanglian Shangqing Pills in the level of preparation,manufacturer and batch. The goal of high-throughput analysis of thepopulation quality variances of Huanglian Shangqing Pills has beenachieved.