[The rapid and nondestructive identification and infrared spectra visualization of Banlangen granule].

Banlangen granule is the main medicament of Banlangen, and is widely used for the prevention and cure of flu and viral infection. In the present article, Fourier transform infrared (FTIR) spectroscopy was used in the identification and analysis of the traditional Chinese medicine, Banlangen granule. The FTIR spectra of Banlangen granule samples coming from different companies and different batches of the same company were obtained. The curves of original absorbance and the second derivatives of the absorbance were analyzed for identification, and compared with those of indigowoad root and indigowoad leaf, which are their raw medicine materials. In addition, the infrared fingerprint spectra were visualized in the form of color bar figure. Results showed that characteristic fingerprint spectra of Banlangen Granule could be picked up effectively, and the products quality of different pharmaceutical factories and the spectra of different batch numbers from the same factory could be revealed directly by FTIR spectroscopy combined with the second derivative spectrum and fingerprint spectrum visualization of analytical data. Thus they were differentiated conveniently, accurately, quickly and directly with this method, providing a simple and effective technique in supervising and examining the quality of the traditional Chinese medicine.

[Principal component extraction used for the interpretation of RS-FTIR spectra].

A method for interpretation of remote sensing FTIR spectra was set up based on ANN model. Considering long training time and over-fitting problem of ANN, two methods, partial least squares (PLS) and principal component analysis (PCA), were utilized to extract principal components of spectra, process time decrease from about 30 minutes to a few seconds. Meanwhile, the idea of calibration transfer was used to overcome the limitation of calibration model in remote sensing FTIR spectra analysis. With the optimization of ANN model, four-component mixtures of acetone, benzene, chloroform and methanol were predicted in a remote sensing and real-time way while the calibration model was built with EPA data. The best performance was yielded with PLS-ANN model, and the root mean square error (RMSE) of acetone, benzene, chloroform and methanol were 0.043, 0.031, 0.034 and 0.051 respectively, which confirm the real-time, correct and quick analysis of remote sensing FTIR in air monitoring.

[A review on applications of infrared spectroscopy to the study of traditional Chinese medicine].

Infrared spectroscopy is well suited for the rapid and nondestructive identification and quantification of traditional Chinese medicine (TCM) for its high resolution, easy operation and strong specialization of absorbance bands. It is becoming an efficient methodology in the quality control of TCM. The present paper reviews the applications of infrared spectrometry in the qualitative and quantitative analysis of TCM, especially to the discrimination and effective content determination of traditional Chinese medicinal materials (including different parts of the same medicinal material, TCM from different geographical areas, easily confusing TCM, and true and false TCM) and Chinese patent medicine (such as TCM formula particles, injections, etc.). With the ceaseless rapid development and popularization of FTIR spectrometer and computer science, infrared spectrometry will greatly accelerate the process of TCM modernization and internationalization by all means.