title: [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].
abstract: 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.
authors.affiliation: School of Chemistry and Chemical Engineering of Shandong University (Center Campus), Ji'nan 250100, China. huabinzou@126.com
authors.forename: Hua-Bin
authors.initials: HB
authors.lastname: Zou
authors.affiliation: School of Chemistry and Chemical Engineering of Shandong University (Center Campus), Ji'nan 250100, China.
authors.lastname: Ayiguzaili
authors.affiliation: School of Chemistry and Chemical Engineering of Shandong University (Center Campus), Ji'nan 250100, China.
authors.lastname: Ablimiti
authors.affiliation: Information Network Center of Shandong Provincial Hospital Affiliated to Shandong University, Ji'nan 250021, China.
authors.forename: Hong
authors.initials: H
authors.lastname: Zhai
mesh_terms: D001546:Bentonite / Q000032:analysis*; D013058:Mass Spectrometry; D008903:Minerals; D011208:Powders; D011786:Quality Control
chemical_list: D008903:Minerals; D011208:Powders; D001546:Bentonite