[Analysis and comparison of trace elements of herba euphorbiae humifusae in different periods by microwave digestion-atomic absorption spectroscopy].

Herba euphorbiae humifusae is the dried whole plant of Euphorbia humi fusa Willd. that belongs to euphorbiaceae. In the present paper, the microwave digestion procedure was used to digest herba euphorbiae humifusae collected in different periods, and then flame atomic absorption spectrometry (FAAS) was used to determine the contents of eight kinds of trace elements of herba euphorbiae humifusae in different periods, and the change in the contents of trace elements at different times was studied and analysed. The results showed that of all the trace elements of herba euphorbiae humifusae in different periods, element Fe was the highest in June, element K was in August at the highest level, element Mn reached the highest content in September, elements Na and Ca were dividedly at the highest content in October and November, and in December the highest content elements were Zn, Cu and Mg. In one word, the change of Na and Ca was jumping, while the change of Cu and Zn was comparatively mild. The results provide scientific basis for the time of collection of herba euphorbiae humifusae.

[Studies on the Herba Plantaginis of different kinds and habitats by FTIR reflection spectroscopy-chemometrics analysis].

In the present paper, FTIR of different species obtained from different regions of sibling plantaginis were determined by Fourier transform infrared reflection spectroscopy (FTIRS), and thirty-five comparatively typical absorption peaks were selected and used to study genetic relationship, combined with chemometric methods. The phylogenetic cluster analysis revealed that three species could be divided into two groups based on the distance of 0.036, among which Plantago depressa Willd. was clustered with Plantago asiatica L. based on distance of 0.033, while clustered with Plantago virginica L. based on distance of 0.042, and the result was consistent with that of traditional taxology. The principal component analysis result revealed that the distances of Plantago asiatica L. in the similar environment are similar in three-dimensional FTIR chart, however, it is dispersive when obtained from different regions. This method is scientific, simple and direct, and has important theoretical and practical application value.

[Identification of Papaver somni ferum L. and Papaver rhoeas using DSWT-FTIR-RBFNN].

Infrared spectra of Papaver somniferum L. and Papaver rhoeas were obtained directly, quickly and accurately by Fourier transform infrared spectroscopy (FTIR)with OMNI sampler. Discrete stationary wavelet transform was used to extrude local region of infrared spectra of Papaver somniferum L. and Papaver rhoeas. The difference of infrared spectra between Papaver somniferum L. and Papaver rhoeas was extruded. Accurate identification rate is improved greatly. One dimensional discrete stationary wavelet transform was implemented to the infrared spectra of Papaver somniferum L. and Papaver rhoeas. The difference between Papaver somniferum L. and Papaver rhoeas was observed at all scales in wavelet domain. Two scales, at which the difference between Papaver somniferum L and Papaver rhoeas is the most obvious, were selected to extract the features of Papaver somniferum L. and Papaver rhoeas. A feature vector including eight feature parameters was constructed. The feature vector was input to RBFNN for training in order to accurately identify Papaver somniferum L. and Papaver rhoeas. In experiment, the authors used one hundred and twenty-eight couples of data of Papaver somniferum L. and Papaver rhoeas (including seventy-eight couples of training samples and fifty couples of testing samples). The experimental results show that it is effective to apply discrete stationary wavelet transform on the basis of FTIR to identify the Papaver somniferum L. and Papaver rhoeas. The accurate identification rate of Papaver somniferum L and Papaver rhoeas is 99.8% and 99.9% respectively.

[Comparison and correlative analysis of trace elements in five kinds of radix curcumae].

Traditional Chinese medicine materials (TCM) contained abundant trace elements needed in human body. Mixed acid (HNO3:HClO4) was added into samples treated by microwave digestion, and a systematic study was carried out by selection of the most appropriate working conditions and optimization of the sample mass. Some inorganic elements in 5 kinds of radix curcumae (Curcuma wenyujin Y. H. Chen et C. Ling, Curcuma longa L., Curcuma kwangsiensis S. G. Lee et C. F. Liang, Curcuma phaeocaulis Val. and Curcuma chuanyujin C. K Hsieh et H. Zhang) necessary to lives were determined by flames atomic absorption spectrometry (AAS). Elements, such as K, Ca, Na, Mg, Zn, Fe, Cu and Mn were detected. The results show that there are similar elements in the five kinds of radix curcumae, while differences only exist in a few elements contents. The correlative analysis of trace elements in samples was carried out by cluster analysis of the 4 kinds of radix curcumae (Curcuma wenyujin Y. H. Chen et C. Ling, Curcuma longa L., Curcuma kwangsiensis S. G. Lee et C. F. Liang and Curcuma phaeocaulis Val. ) in codex populations in a cluster, different from the unofficial sample (Curcuma chuanyujin C. K. Hsieh et H. Zhang). The cluster analysis results are consistent with the morphological characteristics of the traditional taxonomy results. The results showed that the analytic method is advisable. This paper provides scientific basis for deeply studing the relation between trace elements and drug effect of radix curcumae.

[Determination of trace elements in radix Paeoniae alba by microwave digestion-ICP-AES].

Microwave digestion technique was used in the decomposition of radix Paeoniae alba samples of different growing area, different growing time and before and after processing, and the contents of K, Ca, Na, Mg, Zn and Fe were determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results of the determination show that radix Paeoniae alba samples are rich in the trace elements. The RSDs of these elements were lower than 4%, and the recovery ratio ranged between 99% and 113%. The results revealed that the analytic method is sensitive and precise. The pattern recognition based on the principal component analysis (PCA) was applied to the measured trace elements of different radix Paeoniae alba samples. The PCA was useful in the classification of radix Paeoniae alba. This paper provides scientific basis for deeply studying the relation between the trace elements and the drug effect of radix Paeoniae alba.

[Study on identification of Gastrodia elata Bl. by Fourier self-deconvolution infrared spectroscopy].

In the present article the FTIR spectra of the wild and planting Gastrodia elata Bl. from different habitats and its confusable varieties such as Canna edulis Ker-Gawl, Colocasia esculenta (L.) Schott and Solanum tuberosum L. were obtained by horizontal attenuated total reflection infrared spectroscopy (HATR-FTIR), and were all transformed by Fourier self-deconvolution. The authors investigated the discrepancy extent of Fourier self-deconvolution of Gastrodia elata Bl and confusable varieties under various bandwidth and enhancement, and found that the discrepancy extent of Gastrodia elata Bl and confusable varieties was the most obvious when the bandwidth was between 75.0 and 76.0 and enhancement was 3.2. By adopting Fourier self-deconvolution infrared spectroscopy (FSD-IR) analytical method the samples were studied in detail. The results showed that we could find out the difference among them by means of Fourier self-deconvolution infrared spectroscopy, although it was very difficult to find out the difference in FSD-IR spectra of wild and planting Gastrodia elata Bl., and asexual reproduction and sexual reproduction Gastrodia elata Bl. The difference in FSD-IR spectra between Gastrodia elata Bl. and its confusable varieties is also very great. Therefore, this method can be used to recognize different Gastrodia elata Bl. and its confusable varieties simply, rapidly and accurately.

[Application of HATR-FTIR spectroscopy to the analysis of quality mensuration of rhizoma Atractylodes].

The present paper used many kinds of mensuration of FTIR spectroscopy to determine traditional Chinese drugs--rhizoma atractylodis macrocephalae. Comparing the horizontal attenuated total reflection-Fourier transform infrared spectra (HATR-FTIR) of xylem and outer layer parts of cuticle indicates that there are more butenolide and its derivatives in outer layer parts of cuticle. Much more chemical materials could be found in fresh sample than in drying sample, possibly due to the decreased amount of naphtha in the drying sample. The HATR-FTIR of xylem of rhizoma atractylodis macrocephalae and its confusable varieties were transformed into second derivative FTIR to make sure whether the peak location is consistent. As a result, the difference is significant.

[The applications of fourier transform infrared spectroscopy in resolving some taxonomic doubts of Caprifoliaceae].

Fourier transform infrared spectroscopy (FTIR) provides biochemical profiles containing overlapping signals from a majority of the compounds that are present when whole.samples are analyzed. The spectra of the xylem of 112 samples belonging to 12 species and 5 genera in Caprifoliaceae were determined directly with FTIR spectrometry and OMNI-sampler. Based on the indices of wave number -absorbance, the phylogenetic relationships of the 12 species were analyzed by the methods of principal coordinate analysis (PCO) and cluster analysis. The results showed that the infrared spectra of the 12 plant species are finger-print-like patterns which are highly typical for different taxa. Genus Heptacodium has close relation with the tribe Linnaeeae, and Lonicereae, showing that its systematic position is probably located between the two tribes. There is no obvious difference between Viburnum and Sambucus, so the authors thought it would be better to put the two genera in Caprifoliaceae. Therefore, the infrared spectra are of taxonomic value at the level of species and genera, and this technique could be widely used for identification and classification of other taxa when standard spectra are available.

[Identification of semen celosiae and semen celosiae cristatae using continuous wavelet transform with FTIR].

Infrared spectra of semen celosiae and semen celosiae cristatae were obtained directly, quickly and accurately by Fourier transform infrared spectroscopy (FTIR) with OMNI sampler. Continuous wavelet transform was used to extrude local region of infrared spectra of semen celosiae and its confusable varieties. The difference of infrared spectra between semen celosiae and semen celosiae cristatae was extruded greatly. Accurate identification rate was improved greatly. Morlet wavelet, which can detect singular values of signal effectively, was selected as the mother wavelet. One-dimensional continuous wavelet transform was implemented for the infrared spectra of semen celosiae and its confusable varieties. The difference between semen celosiae and semen celosiae cristatae was observed at all scales in the wavelet domain. An optimal scale, at which the difference between semen celosiae and semen celosiae cristatae was the most obvious, was selected to identify semen celosiae and semen celosiae cristatae. The results show that it is effective to apply continuous wavelet transform on the basis of FTIR to identify the traditional Chinese medicinal materials, which are the same genus but different species.

[Application of FTIR spectroscopy to the analysis of quality mensuration of Paeonia lactiflora Pall. from native habitat].

In the present paper, different mensurations of Fourier transform infrared spectra for the analysis of Paeonia lactiflora Pall. were compared. FTIR mensurement was applied to the analysis of quality of xylem and outer layer of Paeonia lactiflora Pall. from native habitat. The results revealed that the chemical contents are the same in both the xylem and outer layer of Paeonia lactiflora Pall.. But outer layer has less paeoniflorin and its derivatives than in xylem of Paeonia lactiflora Pall. Different habitats of xylem of Paeonia lactiflora Pall.. were Hanzhou, Anhui and Sichuan. The results indicated that the quality with habitat in Zhejiang is the best among the three.

[Determination of trace elements in Spirulina platensis (Notdst.) Geitl. by flame atomic absorption spectrometry combined with microsampling pulse nebulization technique].

The contents of trace elements Ni, Zn, Mn, Cu, Mg, Fe, Ca and Pb in Spirulina platensis (Notdst.) Geitl. were determined by flame atomic absorption spectrometry combined with microsampling pulse nebulization technique. The results of the determination show that Spirulina platensis (Notdst.) Geitl. are rich in the inorganic elements such as Mg, Zn, Fe, Ca and Cu. Its recovery ratio obtained by standard addition method ranged between 96.58% and 106.12%, and its RSD was lower than 4.26%. The result will provide scientific data for the study on the trace elements in Spirulina platensis (Notdst.) Geitl. and on their relativity of efficacy of medicine.

[Comparative study on trace elements in flos Chrysanthemum and flos Chrysanthemum indici].

The contents of elements Ni, Zn, Mn, Cu, Mg, Fe, Ca and Pb in flos chrysanthemi and flos chrysanthemi indici were determined by flame atomic absorption spectrometry. The recovery rates obtained by standard addition method were between 94.20% and 110.50%, and the RSDs were lower than 4.12%. The results of the determination show that flos chrysanthemi is rich in the inorganic elements such as Ni, Zn, Fe and Pb, and flos chrysanthemi indici is rich in the inorganic elements such as Mn and Ca. The results will provide scientific data for the study on the elements in flos chrysanthemi and flos chrysanthemi indici and on their relativity of efficacy of medicine.

[Classification of Panax quinquefolium L. and Panax ginseng C. A. Mey. based on FTIR analysis with SVM].

The support vector machine (SVM) is a new learning technique based on the statistical learning theory. In the present paper, forty Panax quinquefolium L. samples were used as experimental materials. The classification models were established using Fourier transform infrared spectra(FTIR)-SVM training method with the intention of identifying whether the Panax quinquefolium L. samples are genuine or they are just Panax ginseng C. A. Mey. samples. The thirty samples in training set were identified by the classifying models with an accurate rate of 100%, while the ten estimate samples had an accurate rate of 90%. The research result shows the feasibility of establishing the models with FTIR-SVM method to identify Panax quinquefolium L. samples and Panax ginseng C. A. Mey.

[Identification of rhizoma atractylodes based on FTIR spectra and radial basis function network].

In order to recognize the atractylodes macrocephala Koidz. (rhizoma atractylodes) and its confusable varieties, three kinds of models of radial basis function network(RBF), nonlinear-linear, linear-linear, and nonlinear-nonlinear model, were used combined with their Fourier transform infrared spectra (FTIR). Rhizoma atractylodes models were collected by Fourier transform infrared spectra, 36 samples were gathered as a training target, and 27 samples as a test set, then their supervision training was performed using three models each. When the summation of error square of the training target was selected as 0. 01, the correct rate for recognition of Fourier transform infrared spectra using each RBF was 100% for the training set, but was different for the test set, which depended on the number of mode in hidden layer, S1. It was found that with the increase of S1, the correct rate would decrease oppositely. This may be caused by the high degree of the nonlinearity of the networks, so that the models of networks were not fit for the training of this kind of sample set. When using linear-linear model of RBF, the correct rate varied with S1 to some extent, but was generally about 85%. Recognizing ability obtained using nonlinear-linear model of RBF was the best. Its correct rate of recognition was >97%. When S1 =3, and so this method can be used to recognize atractylodes macrocephala Koidz. (rhizoma atractylodes) and its confusable varieties simply, rapidlly and accurately.

[Application of wavelet transform to infrared analysis].

In the present article the FTIR spectra of the xylems of Smilax glabra Roxb. and its three kinds of counterfeits were obtained by Fourier transform infrared spectroscopy (FTIR) with OMNI-sampler directly, fast and accurately. By adopting wavelet transform analytical method the samples were studied in detail. The results showed that wavelet transform could remove the noises and condense variable, and have the advantages of fast operating speed, high degree of accuracy, and no noise disposal. It will have a good application prospect in infrared spectroscopic analysis.

[FTIR spectra-principal component analysis of phenetic relationships of Huperzia serrata and its closely related species].

Huperzia serrata is an important medicinal plant. This species is rich in inner-specific variation with various closely related species, and their individuals are also small with few identification characters. In the present paper, the method of Fourier transform infrared spectrometer with an OMNI collector was applied to obtaining the infrared spectra of 16 leaf samples including Huperzia serrata and its five closely related species (Huperzia sutchueniana, Phlegmariurus mingchegensis, Lycopodium japonicum, Selaginella doederleinii, Selaginella heterostachys). Based on the indices of wave number-absorbance, the differences of the 16 infrared spectra were compared by the method of Principal Component Analysis (PCA). The results showed that there is good correspondence between the position relationship of PCA three-dimensional plot of the samples based on the indices of wave number-absorbance of FTIR spectra and their phenetic relationship. Therefore, the infrared spectra could be applied to identifying the samples of Huperzia serrata and its closely related species.

[Detrended correspondence analysis of phenetic relationships of bryophytes based on FTIR spectra].

Bryophytes are important high plants. However, the plants of bryophyte are small in size with few identification characters. The identification of plant samples using Fourier transform infrared spectrometer with OMNI collector is simple, convenient, fast and accurate. In the present paper, Fourier transform infrared spectrometer with OMNI collector was applied to gain the infrared spectra of 30 samples belonging to 26 bryophyte species. Based on the indices of wave number-absorbance, the differences of the 30 infrared spectra were compared by the method of Detrended Correspondence Analysis (DCA). The results showed that there is good correspondence between the position relationship of DCA two-dimensional plot of the samples based on the indices of wave number-absorbance of FTIR spectra and their classification relationship. Therefore, it is practical to apply the infrared spectra to identifying the false sample from the true one in medicine bryophytes.

[Application of FTIR spectroscopy to the analysis of eleven kinds of Dendrobium].

OBJECTIVE: To establish an FTIR method for the analysis of Dendrobium. METHOD: Using fourier transform infrared spectrometer to record the characteristic spectra of eleven samples of Dendrobium, and to compare the spectra by PCA (principal component analysis). RESULT: The FTIR spectra of the upper part of the stem displayed significant differences between fresh and dried samples of Dendrobium. On the other hand, differences were observed in the spectra of the middle and lower parts of stems of D. guangxieuse when compared to other species. CONCLUSION: The method of applying PCA to FTIR analysis is a rapid and dependable method for comparing samples of Dendrobium.

[Quality control of Corydalis Yanhusuo W. T. Wang by second derivative FTIR spectroscopy combined with statistics].

A new method using single reflection Fourier transform infrared spectroscopy was proposed for direct and fast determination of Corydalis yanhusuo W. T. Wang of traditional Chinese herbal medicines and its confusable varieties. Data were collected directly for Fourier transform infrared spectra with OMNI sampler. Then through converting FTIR spectra of the samples into second derivative spectra by derivative spectra software, it is possible to identify Corydalis yanhusuo W. T. Wang from the confusable varieties with statistics. The result shows that the second derivative FTIR of Corydalis yanhusuo W. T. Wang and its confusable varieties are different in the 2 050-650 cm(-1) range. The probability is less than 0.01 and the result is significant. Corydalis yanhnsuo W. T. Wang and its confusable varieties can be identified by identifying the inner layer parts of the cuticles of samples by second derivative FTIR spectroscopy with statistics directly, rapidly and accurately.

[FTIR study on normal and cancerous lung tissues].

Tissues of cancerous and normal lungs were analysed directly and fast by Fourier transform infrared spectroscopy with OMNI-sampler. The result indicated that some remarkable spectral differences were among normal and cancerous lung tissues in frequency, intensity and shape of the absorption peaks. These facts indicated significant differences of content, structure and conformation of proteins, nucleic acids and lipids in different types of lung tissues. The present results suggested that Fourier transform infrared spectrometry (FTIR) could show the properties of normal and cancerous lung tissues at the molecular level. It was able to provide rich and reliable information for investigation of normal and cancerous lung tissues and could be used as a convenient and reliable diagnostic tool for some tumors.