[Analysis of EDS fingerprint spectra of mineral drug montmorillonite powder relying on dual index grade sequence individualized pattern recognition method and their quickly quality evaluation].

EDS(energy dispersive spectrometer) element fingerprint spectra is able to quickly measure the kinds and the contents of elements in any mineral drug. In dual index grade sequence individualized pattern recognition method, common (quantity) index and variation (quantity) index ratios of any two samples' fingerprint spectra are calculated, and the individualized dual index sequence of each sample is constructed relying on its own EDS fingerprint spectra as the reference. Then the mean common (quantity) index ratio P and the standard deviation S of all samples in each sample's individualized dual index sequence are computed. On this basis, for each sample, its own similarity scale function P> or =P+xS is built up. By this function, the optimum x suitable for optimized classification/cluster of all samples is determined, and the individualized characteristics sequence of one sample, to which samples in the individualized characteristics sequence are significantly similar, is decided also. Finally, depending on these individualized characteristics sequences, the optimized classification/cluster of all samples can be carried out perfectly without any prior knowledge related to them. This method is not only suitable for the quantitative analysis on fingerprint spectra being of only common peaks, but also fits for that being of both common and variant peaks. In this study, the EDS element fingerprint spectra of seven mineral drug montmorillonite powder samples from different companies were detected. Then common (quantity) index and variant (quantity) index ratios of peak area (or contents of majorly active element Fe, Al, Ca, Mg, Si) among different EDS fingerprint spectra were obtained. In the similarity scale function P> or =P+xS, when x= 0. 5, these seven mineral drug montmorillonite powder samples could be quickly identified with high resolution, be classified into two groups, and their quality could be evaluated precisely. In general EDS element fingerprint spectra combined with dual index grade sequence individualized pattern recognition method offers a novel approach to quickly identifying mineral drugs with high resolution and for accurately quantitative quality evaluation of them, based on atomic content information provide by EDS finger-print spectra.

[Identification of yougui and jisheng shenqi pills with FTIR and EDS fingerprint spectra by new visual comparison].

FTIR combined with EDS fingerprint spectra was first applied to the identification of two kind of traditional Chinese compound formulae-Yougui pill and Jisheng shenqi pills, which have the similar composition The IR FPS of extraction of two kinds of pills extracted with chloroform were measured by liquid membrane method. The exclusively characteristic peak groups of these two kinds of formulae were theoretically established based on the Shapiro-Wilk W testing method,and the characteristic radicals and compound species corresponding to each characteristic peak were determined. Meanwhile, EDS fingerprint spectra of the two kinds of original powders were also measured which can reflect the element species and content information. Based on the three kinds of information (characteristic peak groups, radicals and compound species, different elements), Yougui and Jisheng shenqi pills were identified quickly, precisely and reliably. In this method, infrared fingerprint spectra possess the similar ability with chromatograph fingerprint spectra in identification of traditional Chinese compound formulae. The results show that the new visual comparison method is suitable for identifying traditional Chinese compound formulae with the same dosage-form and similar composition.

[Dual index grade sequence pattern recognition of extracts with ethanol of Mingmu Dihuang pills and Zhibai Dihuang pills].

OBJECTIVE: A new pattern recognition method suitable for traditional Chinese patent medicine was established in this paper, which is named as the Dual index grade sequence pattern recognition. METHOD: In this method the quality gradation was defined mathematically relying on normal distribution. By this way samples can be clustered and classified depending on which quality gradation is wanted, and the grading samples quantitatively relative to quality can be performed simultaneously. Especially, the redundant information with respect to pattern recognition hiding in dual index sequences of samples can be removed effectively by applying the good grade sequences, which make the pattern recognition results accurate excellently. This approach possesses the advantages of both supervised classification and unsupervised cluster methods. Samples can be clustered and classified at the same time without any standard samples, and the operation is accomplished based on the good grade similar sequences themselves being as the classifying marks. Moreover, the subclasses in each class can be identified more subtly. RESULT: The infrared fingerprint spectra of extracts of 27 kinds of Mingmu Dihuangwan pills and Zhibo Dihuangwan pills samples extracted with ethanol were analyzed with the method proposed in this paper. The results showed that these pills can be classified in their subclasses clearly, respectively. CONCLUSION: The Dual index grade sequence pattern recognition is a new and effective one for identifying complex biological products made from complex herbal medicines.

[The common and variation peak ratio dual index sequence analysis on UV fingerprint spectra of Paeonia Lactiflora Pall].

Baishao and Chishao (Paeonia Lactiflora Pall.) and their close relative Danpi (Paeonia Suffruticosa Andr) samples were estimated quantitatively, based on their UV fingerprint spectra of the extracts obtained with chloroform, ethanol and water, by applying the common and variation peak ratio dual index sequence analysis method. The analytical results showed that the Baishao samples B2, B3 and B4 from the closest regions were the most similar samples. Their common peak ratios were larger than 70 percent and their variation peak ratios were less than 33.3 percent. However, there existed obvious differences among Baishao sample group 1 (B1 and B5), group 2 (B2, B3 and B4) and group 3 (B6) from different regions. The common peak ratios among group 1 (B1 and B5) and group 2(B2, B3 and B4) were lower than 60 percent, while those among group 1 (B1 and B5) and group 3 (B6) were less than 57 percent. The Baishao samples B1 and B5 from the same region collected in different years were of significant disparity, their common peak ratio was only 44.4 percent, but their variation peak ratios were larger than 100 percent. In fact, this method reaches the limitation of quantitative identification of herbs, and can distinguish at least two samples quantitatively.

[The first and second cluster analysis of dual index grade sequence of IR fingerprint spectra of Guifudihuang pill and Jinkuishenqi pill samples and their quality evaluation].

In the present paper a method for identifying and evaluating traditional Chinese medicine (TCM) Jinkuishenqi pill and Guifudihuang pill samples is proposed. Mathematical statistics was applied to analyze the dual index sequences of infrared fingerprint spectra of components extracted from Jinkuishenqi pill and Guifudihuang pill samples with water, then the grade sequences were determined and the first and second clusters were performed based on these grade sequences. As a results, the most similar sample groups of different samples were also obtained. The Jinkuishenqi pill and Guifudihuang pill samples can be distinguished accurately with the most similar sample groups. The method put forward is new and effective to identify and evaluate combinational TCM quantitatively.

[Dissolution and differentiation of phytochemical components from mixture of Radix Paeoiae Alba and Radix Glycyrrhizae with different ratios].

OBJECTIVE: To investigate dissolution properties among different components with various polarities and to distinguish these groups from each other. METHOD: Ultraviolet fingerprint spectra (UV FPS) of the components from Baishao (Radix Paeoiae Alba) and Gancao (Radix Glycyrrhizae) with various proportions, extracted with chloroform, ethanol and water successively, were obtained. The analysis was performed on the absolute and relative absorptions of peaks in UV FPS. RESULT: Dissolutions in different rates and in synergy among chemical components were observed, by which different components can be distinguished. CONCLUSION: Dissolution kinetics and processes of the various chemical components from medicinal herbs are of great difference.

[Dual-index sequence analytical method for IR fingerprint spectra of the chloroform extract of Radix Glycyrrhizae].

OBJECTIVE: To investigate a new method for the analysis of IR fingerprint spectra of Radix Glycyrrhizae. METHOD: Two indexes, common peak ratio and variation peak ratio, are used to compare the IR spectra of various Radix Glycyrrhizae samples, and the values are calculated by means of sequent analysis. RESULT AND CONCLUSION: The dual-index sequence method provides a good approach to discriminate Radix Glycyrrhizae samples of different species and geographical origins.