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The present paper firstly reviewed the research progress and main methods of NIR spectral assignment coupled with our research results. Principal component analysis was focused on characteristic signal extraction to reflect spectral differences. Partial least squares method was concerned with variable selection to discover characteristic absorption band. Two-dimensional correlation spectroscopy was mainly adopted for spectral assignment. Autocorrelation peaks were obtained from spectral changes, which were disturbed by external factors, such as concentration, temperature and pressure. Density functional theory was used to calculate energy from substance structure to establish the relationship between molecular energy and spectra change. Based on the above reviewed method, taking a NIR spectral assignment of chlorogenic acid as example, a reliable spectral assignment for critical quality attributes of Chinese materia medica (CMM) was established using deuterium technology and spectral variable selection. The result demonstrated the assignment consistency according to spectral features of different concentrations of chlorogenic acid and variable selection region of online NIR model in extract process. Although spectral assignment was initial using an active pharmaceutical ingredient, it is meaningful to look forward to the futurity of the complex components in CMM. Therefore, it provided methodology for NIR spectral assignment of critical quality attributes in CMM.

The present paper discusses ultrasonic extraction method aided extraction of coumarin from a Mongolian drug, Chagan-sorlo (Radix Glehniae), aiming to study out how much coumarin contained in Chagan-sorlo, and to provide the scientific basis and production guidance for extracting coumarin from Chagan-sorlo. Under different conditions the coumarin in Chagan-sorlo was extracted by ultrasonic, measured and analyzed, and then HPLC was used to carry out the measurement. Result showed that with solvent volume fraction of 70%, extraction time of 20 min, ultrasonic power of 175 W, temperature of 25 degrees C, solid-liquid ratio of 1 : 20, and 80-100 mesh extraction, the coumarin extraction reaches the highest yield.

A novel facile method for on-site detection of antipertensive chemicals (e. g. nicardipine hydrochloride, doxazosin mesylate, propranolol hydrochloride, and hydrochlorothiazide) adulterated in traditional Chinese medicine for hypertension using thin layer chromatography (TLC) combined with surface enhanced Raman spectroscopy (SERS) was reported in the present paper. Analytes and pharmaceutical matrices was separated by TLC, then SERS method was used to complete qualitative identification of trace substances on TLC plate. By optimizing colloidal silver concentration and developing solvent, as well as exploring the optimal limits of detection (LOD), the initially established TLC-SERS method was used to detect real hypertension Chinese pharmaceuticals. The results showed that this method had good specificity for the four chemicals and high sensitivity with a limit of detection as lower as to 0.005 microg. Finally, two of the ten antipertensive drugs were detected to be adulterated with chemicals. This simple and fast method can realize rapid detection of chemicals illegally for doping in antipertensive Chinese pharmaceuticals, and would have good prospects in on-site detection of chemicals for doping in Chinese pharmaceuticals.

The curative effect of Banlangen granule is directly affected by its quality, so it is very important to choose a kind of effective method for testing it. The chemical treatment is needed as a pre-treatment for the quality testing by using common method at present, which will change or destroy the sample. For dealing with this problem, in the present paper, a fluorescence spectrum imaging experimental system based on LCTF (liquid crystal tunable filter) is set up to detect the characteristics fluorescence spectrum of Banlangen granules. The characteristic fluorescence spectrum curve of Banlangen standard material provided by Chinese Food Drugs Examination Research Institute is used as a reference substance for a comparison with other Banlangen granules. By normalizing the corresponding characteristic fluorescence spectrum of Banlangen granules of different raw materials, different manufacturers and different batches, the relationship between the characteristic fluorescence spectrum curve and the quality of Banlangen granule is discussed by using the method of comparative and cluster analysis. The experimental results show that the qualities of Banlangen granules are quite different from different manufacturers, which are basically reflected by the change in the intensity of fluorescence and peak position. All of these indicate that fluorescence spectrum imaging technology is a simple, rapid and nondestructive detection method for the quality control of Banlangen granule.

Multivariate detection limits (MDLs) of different types of near-infrared instruments were investigated to guide the selection of device type for TCM NIR analysis. In this paper, near-infrared spectroscopy of Qingkailing injection was performed in transmission mode on four near-infrared spectrometers named a, b, c and d, respectively. High performance liquid chromatography (HPLC) was used as the reference method to determine the content of baicalin in Qingkailing injection. Partial least squares (PLS) and interval partial least squares (iPLS) quantitative models of baicalin in Qingkailing injection were established and MDLs of quantitative models based on different types of instruments were calculated. The determination coefficient of prediction (R2(pre))and the root mean square errors of prediction (SEP) of PLS models of four different near-infrared spectrometers are 0.9762 and 230.4 microg x mL(-1) (a), 0.9561 and 246.4 microg x mL(-1) (b), 0.9662 and 264.4 microg x mL*-1) (c), 0.9985 and 71.5 microg x mL(-1) (d). And the model of instrument d shows a better prediction performance than the other three types. There are no remarkable superiorities in predictability in iPLS models of instruments a and b after variable selection, since the R2(pre) and SEP values for instruments a and b are 0.9771 and 218.4 microg x mL(-1), and 0.9754 and 219.4 microg x mL(-1), respectively. Models c and d show no results of variable selection. MDLs (delta(0.05, 0.05) of different instruments are all less than 250 microg x mL(-1), and the MDLs of instruments c and d reach to 58 and 2.9 microg x mL(-1) respectively. The results reveal that the predictability of models and corresponding MDLs are different for different detection equipments. This paper innovatively used the theory of MDL to investigate the detection performance of different types of NIR instruments. The results demonstrated the feasibility of the approach. And it is expected that in actual applications, choosing the right type of instrument should be based on the characteristics of the study carrier to ensure quantitative accuracy.

The purpose of decoction traditional Chinese medicine is to make full exhalation of medicinal materials active ingredients, thus it has the maximum effect of traditional Chinese medicine to treat disease. In order to detect the dissolution change of medicinal materials active ingredients in decoction process, this paper applys spectral imaging technology, with Chinese traditional medicine cortex phellodendri as an example, discussing its fluorescence intensity at different time in decoction process. And the analysis results reflect edgewise the dissolution rule of cortex phellodendri active ingredients.

The present paper is aimed to establish the method of determining the strontium in M. nitida Benth. var. hirsutissima. Z. Wei. by means of air-acetylene flame atomic absorption spectra, and also provide reference for the determination of the strontium in other traditional Chinese medicine. M. Nitida Benthvarhirsutissima Z. Wei. was taken as the object. The authors used nitric-perchloric acid as digestion solution to digest samples by microwave which was controlled by pressure, and used EDTA-2Na as the releasing agent to add in the samples for determining the strontium in M. nitida Benth. var. hirsutissima. Z. Wei. by FAAS. The results showed that the samples were entirely digested by microwave. The working curve was Y = 0.036 5x -0.001 1, r = 0.999 4, the range was 0-1.6 microg x mL(-1), the average recovery rate was 101.5% with RSD 2.04%, and the method detection limit was 0.008 2 microg x mL(-1) (n = 21). It is concluded that this method is simple and accurate. It has high sensitivity and can be effectively used for determining the strontium in this traditional Chinese medicine.

The purpose of the present paper is to establish a method of the fingerprint of LiuWei DiHuang pills by the near infrared spectroscopy. First, the authors established the fingerprint of LiuWei DiHuang pills by high performance capillary electrophoresis (HPCE), and calculated its similarity. At the same time, the authors scanned its near infrared spectrogram. Then the authors established the mathematical model between the similarity of fingerprint and the near infrared spectrogram. Through the optimization of the model, the correlation(r), calibration standard deviation and the average relative error of the modeling set were 0.9046, 0.058 and 6.12%, respectively. It proved that the linearity between calculated and forecast of fingerprint was clear. The results showed that the method of the fingerprint of LiuWei DiHuang pills by the near infrared spectroscopy was feasible.

The compositions and contents of chemical compounds in traditional Chinese medicines would be changed after being processed using different methods, and their pharmacological activity may be influenced. ICP-AES, AAS and AFS were the first methods to be used to scan and analyze macro elements, trace elements and heavy metals in Foeniculum vulgare and its nine different processed samples in the present paper, which were correlated with people's health and lives. The experiment results showed that the three kinds of analyzing methods could be used to judge the contents and the changing trend of all elements in traditional Chinese medicine quickly and truly. Thirty two elements were found in F. vulgare, and there were noticeable changes in the contents of some elements in processed samples compared with F. vulgare without processing. These results indicated that there is great relevance between changes in the contends of elements with different processing methods, and auxiliary materials can not only change the contents of elements but also play a role in treating ills with effective constituents. Also, it was firstly found that the content of Hg rose greatly in the experiment, and these showed there was notable potential safety hazard when processed Foeniculum vulgare was used. These experiments widen the application of spectrum analyzing methods in safety evaluation of traditional Chinese medicine.

In the present paper, the authors extracted active components of herba epimedii and their important features using Fourier transform infrared spectroscopy (FTIR), correlation coefficient comparison, and multilevel wavelet analysis. The extracted features were then used to classify herba epimedii via radial basis function (RBF) neural network. There were altogether 250 samples of the medicine with various different types, including epimedium brevicornu Maxim., E. sagittatum (Sieb. et Zucc. ) Maxim, E. pubescens Maxim., E. koreanum Nakai and E. wushanense T. S. Ying. An important component of herba epimedii, herba epimedii icariin, has a special peak at 1 259 cm(-1) on the FTIR spectra obtained from the methanol extraction, which is consistent with the result obtained by traditional HPLC qualitative analysis. Therefore, this special peak can be used to determine if herba epimedii contains herba epimedii icariin. Furthermore, large variations in the spectrum caused by low content of icariin, weak absorption peaks and noise were successfully removed by applying correlation coefficient comparison and multilevel wavelet analysis, which significantly increased the quality of classification of RBF neural network. This paper creates a framework of fast identification of herba epimedii icariin in raw herba epimedii by FTIR spectra via wavelet analysis and RBF neural network.

Combining unique macro-fingerprint characteristics of infrared spectroscopy (IR) with the overall concept of traditional Chinese medicine (TCM) theory, the authors seek to establish a new, rapid and economic method for research on Chinese herb preparation (CHP), which could reflect the whole and integration concept of TCM theory and also be widely applied in TCM research. In the present paper, four coptidis-evodia couples, e.g. Zuo-jin-wan (coptidis : evodia = 6 : 1), Gan-lu-san (coptidis : evodia = 2 : 1), Zhu-yu-wan (coptidis : evodia = 1 : 1) and Fan-zuo-jin (coptidis : evodia = 1 : 6), were extracted by boiling water and 80% alcohol, and the FTIR spectra of those CHPs were compared and analyzed in detail. The characteristic absorbance bands of coptidis and evodia were assigned in the FTIR spectra of the four coptidis-evodia couples. The results showed that rhizoma coptidis owns absolute superiority in both extracts of Zuo-jin-wan and Gan-lu-san since the proportions of rhizoma coptidis in the two couples are higher than those of fructus evodiae. With regard to Zhu-yu-wan, the proportions of two ingredients are the same. However, the contribution rate of coptidis is higher than that of evodiae in water extract of Zhu-yu-wan. In addition, coptidis also shows higher contribution rate than that of evodia in alcohol extract of Fan-zuo-jin. The spectroscopic technique described here is a simple and rapid analytical technique, which could provide valuable chemical information about the whole coptidis-evodia CHPs.

Qualitative and quantitative analysis of Shuanghuanglian fenzhenji was studied in the present paper by FTIR. The fingerprint characteristics of main components in the injections were assigned and can be used as the criterion in the qualitative quality control. Calibration models by PLS algorithm were built to get the quantitative information of baicalin and chlorogenic acid in the injection samples. The R2 of calibration models are both above 0.99 and the average relative deviations between predicted and actual value measured by HPLC are less than 4% for the both properties. The qualitative and quantitative analysis by FTIR is simple and rapid, so it may provide a new on-line approach to the quality control of main constituent in Shuanghuanglian fenzhenji and some other traditional Chinese medicines.

The present paper constructs a new approach named local straight-line screening (LSLS) to detect Chinese proprietary medicines (CPM) containing undeclared prescription drugs (UPD). Different from traditional methods used in analysis of multi-component spectrum, LSLS is proposed according to the characteristics of original infrared spectra of the UPD and suspected CPM, without any pattern recognition or concentration model establishment. Spectrum-subtraction leads to the variance in local straight line, which serves as a key in discrimination of whether suspected CPD is adulterated or not. Sibutramine hydrochloride, fenfluramine hydrochloride, sildenafil citrate and lovastatin were used as reference substances of UPD to analyze 16 suspected CPM samples. The results show that LSLS can obtain an accurate quantitative and qualitative analysis of suspected CPM. It is possible for the method to be potentially used in the preliminary screening of CPM containing possible UPD.

In the present paper, raw radix, stem and leaf and the total glycoside extract of them of Acanthopanax senticosus Harms were studied via the multi-steps IR macro-fingerprint method. The spectra of raw medicinal materials show that the spectra of radix and stem are similar and mainly show characteristic peaks of calcium oxalate and starch, whereas the characteristic peaks of calcium oxalate of leaf almost disappear and the shape of characteristic peak of starch also gets unconspicuous. The FT-IR spectra of total glycoside extract of radix, stem and leaf present characteristic peaks at 1602, 1514, 1452 cm(-1) (vibration of phenyl framework) and 1271 cm(-1) (==C--O), respectively, therefore, the authors speculated that their mutual component is the compound of phenolic glycoside. Through observing the second derivative IR spectra of the total glycoside extract of different parts of Acanthopanax senticosus Harms, the authors found that the characteristic peak of leaf is stronger than that of radix and stem at 1656 cm(-1) (flavone C==O), this proves that the quantity of component of flavone in the leaf is higher than that in the radix and stem. In the two-dimensional correlation spectra, the radix and stem both have five automatic peaks (vibration of phenyl framework) in 1350-1700 cm(-1), whereas the leaf still shows another automatic peak at 1656 cm(-1) (flavone C==O), and this further proves that the quantity of component of flavone in the leaf is higher than that in the radix and stem.

Luxiancao is a new medicine for liver cancer, and is purely natural botanical It has good curative effects and few side effects. The curative mechanism of Luxiancao is unknown. In the present paper, the authors used a 514. 5 nm laser to measure the changes in the Raman spectrum of liver cancer cells (SMMC-7721) treated by Luxiancao at different concentrations. The study can help us know more about the mechanism, efficiency and side effects of Luxiancao. The results show that significant changes were observed in the cells' Raman spectra after reacting with Luxiancao. The intensities at 785 and 1 092 cm(-1), corresponding to DNA phosphate backbone vibration, were reduced; and the Raman bands for the bases A and G at 1 312 and 1585 cm(-1) also decreased, indicating that Luxiancao may be inserted in DNA bases and influence the DNA replications, resulting in the reduction in DNA content and breaking of the DNA strands. Besides, the intensity of 1 360 cm(-1), belonging to Trp, decreased gradually and disappeared in the end, indicating the Trp of cancer cells began to be exposed when adding in Luxiancao. The bands at 1 004 cm(-1) for Phe and 1 656 cm(-1) for proteins alpha-helix also decreased, suggesting that there were changes in the structure of protein and circumstance of amino acid. Moreover, the effects on cancer cells were enhanced gradually with the HCPT concentration increasing. Since a Raman spectrum is a chemical fingerprint of a sample, the different concentration dependent changes in the Raman spectra of individual cells due to reacting with Luxiancao can overcome the limitations of other detection systems used for quantitative and qualitative analysis of the drug.

Some of traditional Chinese medicine (TCM) contain arsenide, such as realgar. The total amount of arsenic in the TCM exceeds the limits according to related regulations. But the roles of arsenic in TCM or its side-effects depend on its species existing in those therapies, not on the total amount of arsenic. Therefore, in recent years, the analysis of arsenic in TCM focuses on the species of arsenic. The present paper combines the method of extracting chemical composition from bunge pricklyash seed and analyzing the contents and the speciation of arsenic of bunge pricklyash seed (BPS) in different habitat by atomic fluorescence spectrometry (AFS-3100). By using 0.45 microm filter membrane and mixed solvent, two different species of the decoction of BPS were extracted, named the suspended and the soluble, and by using ion-exchange resin, the soluble arsenic could be separated as As(III), As(V), MMA and DMA. The authors established the segregation analysis methods for those species. The results shows that BPS in different habitat all contain arsenic, mostly as the species of inorganic arsenic, and the contents of As(V) are higher than As(III). The lixiviating rate of arsenic is highest with the solvent of methanol-water (4/1), reaching 53.7%-62.3%. The recovery of the method was 96.0%-101.3% and the relative standard deviation was less than 2.66%. The results show that the sensitivity and reproducibility of this method were excellent, and provided theoretical basis for further development of BPS

Analysis of traditional Chinese herbal medicine is of great importance to its quality control Conventional analysis methods can not meet the requirement of rapid and on-line analysis because of complex process more experiences or needed. In recent years, near-infrared spectroscopy technique has been used for rapid determination of active components, on-line quality control, identification of counterfeit and discrimination of geographical origins of herbal medicines and so on, due to its advantages of simple pretreatment, high efficiency, convenience to use solid diffuse reflection spectroscopy and fiber. In the present paper, the principles and methods of near-infrared spectroscopy technique are introduced concisely. Especially, the applications of this technique in quantitative analysis and qualitative analysis of traditional Chinese herbal medicine are reviewed.

The essential oil of Pericarpium Citri Reticulatae from seven different regions were identified by Fourier transform infrared spectroscopy (FTIR) in the present paper. The result indicated that it's easy to find a fingerprint character of 2-methyaminomethyester benzoic acid in the FTIR spectra of essential oil of the Pericarpium Citri Reticulataes collected from Guangdong and Guangxi, but it can't be seen in the FTIR spectra of th e samples from other regions, a nd especially, there is aobvious difference between Xinhui and non-Xinhui regions at 1690 and 1644 cm(-1) in the FTIR spectra. Therefore, the simple, fast and accurate property of FTIR is a good foundation for the identification of Pericarpium Citri Reticulatae using its fingerprint character.

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.

The present paper introuduces the method, with which the water-soluble polysaccharide was extracted with hot water from Garidi-15, the products were further purified with column chromatography on SephadexC-25, and the contents of water soluble polysaccharide were determined by phenyl hydrate-sulfuric acid method. The average recovery was 100.50%, and RSD was 0.82%. The components of water soluble polysaccharide were identified by gas chromatography as xylose, mannose, galactose and glucose in the molar ratio of 1.03 : 1.26 : 0.77 : 2.30. The water soluble polysaccharide was identified by IR spectrum and UV(200-400 nm) scanning spectrum. The IR spectrum indicates that there are characteristic absorption peaks of polysaccharides at 3 417.46, 2 928.65, 1 742.86, 1 643.69, 1 149.78, 1 078.19, 1 022.56 and 834.57 cm(-1), of which there are absorption peaks of pyranose at 1 078.19 and 1 022.56 cm(-1), and contain one characteristic absorption peak of alpha-pyranose indican band at 834.57 cm(-1). The UV scanning spectrum shows the obvious polysaccharide absorption peak at 280 nm, and indicates the existence of C=O bond.

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.

In the present paper, the simultaneous determination of multi-components in Chinese herbal medicine was performed by artificial neural network-UV spectrometry. The interference of other components was eliminated by self-revising and self-simulation of the virtual component. The double ANN including training and simulation network was established, and the capabilities of self-recognition and self-studying were improved. Therefore, the prediction accuracy of multicomponent content was improved greatly in the complicated Chinese herbal medicine system. The contents of aesculin and aesculetin, which were extracted from 21 Cortex Fraxinis, were predicted. Comparing the results with those of HPLC, the prediction accuracy was more than 90% within the relative errors less than 10%. The measurement precisions of aesculin and aesculetin were 0. 37% and 1. 5% respectively.

Two Yi herbs were studied by ATR Fourier transform infrared spectroscopy in the present paper. The main characteristic peaks of Jigen are: 1 726 and 1 641 cm(-1) (broad peak), 1 505 cm(-1) (small peak), four finger small peaks near 1 379 cm(-1) 1 244 cm(-1) (small sharp peak), 1 512 cm(-1) (small peak), 1 438 cm(-1) (small sharp peak), and 1 044 cm(-1) (strong, single peak). The results show that Jigen and Dahongpao have different characteristic infrared spectra. FTIR has proved to be a rapid, simple and nondestructive method to discriminate Yi herbs. Besides, test indicates that the two Yi herbs have a characteristic in common: absorbance at 1 034 cm-' is the strongest, which is attributed to stretching of C-O--C, indicating that the spectra of the Yi herbs root is mainly composed of the adsorption of carbohydrates, lignin, cellulose etc.

In this paper a rapid and simple method using pyrolysis coupled with atomic absorption spectrometry for the analysis of total mercury in Chinese medicinal material and biological samples is presented. No sample digestion was needed and this greatly simplifies the analytical procedure and minimizes potential sources of contamination. Under optimum conditions, the reproducibility of the method was 2.1% for peak area and 9.1% for peak height. The detection limit (3sigma) was 6.3 ng x g(-1), and the recovery was within the range of 95%-105%. Several standard reference materials were analyzed and the results were obtained with satisfaction. The performance of the method was compared with inductively coupled plasma-mass spectrometry (ICP-MS), and excellent agreements were observed between these two methods.

Takagi-Sugeno fuzzy system is composed of several back-propagation neural networks (BP-NNs), and has some fuzzy logic properties. In this paper, the Takagi-Sugeno fuzzy logic system is applied to identifying official and unofficial rhubarb samples based on their infrared spectra. The effects of the number of hidden neurons and the momentum parameters on the prediction were investigated. The results obtained by using Takagi-Sugeno fuzzy system were better than those by commonly used BP-networks. With a proper network training parameter, 100% correctness can be obtained by using Takagi-Sugeno fuzzy system. This method is more accurate than the common methods, and is more scientific than traditional methods. So it is applied to identifying rhubarb easily and rapidly.

This paper uses Fourier transform infrared spectrometer with OMNI sampler to distinguish Fructus amomi from their confusable varieties, i. e. Amomum aurantiacum H. T. Tsai et S. W. Zhao, Amomum chinense Chun ex T. L. Wu, Alpinia chinensis (Ketz.) Rosc and Alpinia japonica (Thunb.) Miq. IRs of Amomum villosum Lour., Amomum longiligulare T. L. Wu and Amomum villosum Lour. Var xanthioides T. L. Wu et Senjen are resemble, and they are markedly different from the FTIR of the confusable varieties. Repeat experiments were processed with different samples of the same set, and the probability is 1.000. The result shows that FTIR can be directly used to distinguish Fructus amomi from their confusable varieties.

Rhubarb is one of the most widely used Chinese medicinal herbs in China. Fast and accurate identification of official and unofficial rhubarb samples is most critical for quality control of Chinese medicine production. In the present paper near-infrared reflectance spectrometry (NIRS) and artificial neural network (ANN) were combined to develop classification models for identifying 52 official and unofficial rhubarb samples. The measured spectra were compressed by wavelet transformation (WT) and then the ANN classification models were trained with the reduced-variables spectral data. The rate of correct classification was over 96%. The effects of neurons in hidden layer and the momentum were also discussed. Owing to its fast and nondestructive properties, NIRS is a promising approach to identifying Chinese medicinal herbs.

Formula particles made by Traditional Chinese Medicines (TCM) were studied systematically via Fourier Transform Infrared Spectroscopy (FTIR) in this paper. The products quality of different pharmaceutical factories (Guangdong Yifang, Jiangyin Tianjiang, Sanjiu Yiyao, Hongkong Purapharm) could be revealed directly in the FTIR spectra. Also the spectra of different batch numbers (same factory), particles before and after processing, and particles with different processing methods were studied. It is proved that FTIR is an effective, fast and advanced method to evaluate the production qualities.

Standard BanXia (Pinellia temata (Thumb.) Breit) and false Shui BanXia (Typhonium flagelliforme (Lodd.) Blume) were identified fast and nondestructively by Fourier Transform Infrared Spectroscopy (FTIR) combined with two-dimensional correlation spectroscopy (2D) in this paper. The two kinds of BanXia wree similar to each other in one-dimensional IR spectra but quite different in 2D FTIR spectra. In the range between 1 220 cm(-1) and 1700 cm(-1), one strong autopeak was aroused by BanXia around 1410 cm(-1) in synchronous spectrum, whereas three autopeaks not only at 1460 cm(-1) but also at 1540 cm(-1) and 1680 cm(-1) aroused by Shui BanXia. Also in the range between 940 cm(-1) and 1220 cm(-1), three autopeaks were shown at 980, 1080 and 1150 cm(-1) in synchronous spectrum of BanXia, but only two autopeaks at 1080 and 1150 cm(-1) in synchronous spectrum of Shui BanXia. It is proved that the 2D FTIR could serve in distinguishing standard and false medicinal herbs due to its unique advantages such as enhanced resolution and increased identification ability. Therefore, the rapidity and accuracy of 2D FTIR spectroscopy make it a powerful and new approach to evaluating the medicinal herbs.

We studied the amount of trace elements in the traditional Chinese medicine Wuji Baifeng Wan by cluster analysis, and found that the clustering results of the trace elements in Twelve Wuji Baifeng Wan (the southern preparation) and Wuji Baifeng Wan (the northern preparation) were not in the same group. In this paper, AAS was used for the determination of trace elements in Wuji Baifeng Wan and its preparation. The results showed that there were great differences between Twelve Wuji Baifeng Wan and Wuji Baifeng Wan , while the difference between Chinese Taihe Chicken and Native Chicken was slight. So we drew a conclusion that the great differences between Twelve Wuji Baifeng Wan and Wuji Baifeng Wan were caused by other medicine, not in its preparation.

Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional correlation spectroscopy was used to identify the different parts of Danggui in this paper. Guitou and Guiwei are two parts of the same officinal plant, and similar to each other in normal. FTIR spectra revealed the comparabilities of these two parts in herbal characters, organizing structure and alkaloid components. However, variance in amino acids and naphtha contents, which is aroused by the different parts of the angelica, could be identified easily and clearly in 2D FTIR spectra. Thus the fast and accurate property of 2D FTIR spectroscopy makes it a powerful and new approach to evaluating the medicinal herbs impersonally.

Shenrong Heixi Wan is a pure traditional Jiangxi medicine which has been mainly used to cure coma in clinic as its main function is resuscitation. In this paper, four trace elements in Shenrong Heixi Wan and other five traditional Chinese medicines have been determined and contrasted by AAS. The results show that there are abundant benificial trace elements in Shenrong Heixi Wan while pernicious trace elements such as Hg, Cd etc. are low. So the medicine is safe to take.

A new method for fast determining the content of amino acid in Cordyceps sinensis by means of near infrared (NIR) spectroscopy was developed. Colorimetry was first employed to measure the actual content of amino acid in Cordyceps sinensis. BP neural network was introduced to model the quantitative correlations between the NIR spectra and the contents of glycine, arginine and total amino acid. By comparing several preprocessing procedures and wavelength ranges, the optimal models could be obtained in the range of 7501.7-6097.8 cm(-1) and 5453.7-4246.5 cm(-1) with first derivative NIR spectra. Standard errors of prediction set (RMSEP) for glycine, arginine and total amino acid were 0.08, 0.07 and 0.36, respectively. The ultimate experimental results indicated that the proposed artificial neural network model was far superior to those of partial least square regression (PLS) and principal component regression (PCR). As an effective nonlinear multivariate calibration strategy, this paper could offer a new approach to the fast measurement of content of chemical components in traditional Chinese medicine by NIR spectroscopy.

Both zhenbao pills II and III are Mongolian medicine of a kind. Zhenbao pill II was the artificial syntheses and zhenbao pill III was made from natural materials. In this paper, the flavonoids of Mongolian medicine zhenbao pills II and III were extracted by Soxhlet apparatus with methyl alcohol as extracting agent, the colorimetric method was applied to the determination of flavonoids, and the experimental procedure was studied with zhenbao pill II as the test sample. The result showed that the linear range of quantitative determination was 8.05-48.28 microg x mg(-1). The standard addition recovery (SAR) was 99.49%-100.50%. The RSD (n = 3) was 0.54%. The range of contents of flavonoids was 1.47-1.55 mg x g(-1) in zhenbao pill II and was 2.88-3.00 mg x g(-1) in zhenbao pill III. This method was simple and accurate with good reproducibility, and is suitable for the determination of flavonoids in all kinds of pills. The contents of flavonoids can be used to prove whether zhenbao pill is artificial syntheses or natural material.

In this paper, we used atomic absorption spectrometry to determine the trace elements in seven kinds of Chinese traditional medicines including Dang-gui, Jixueteng, Dihuang, Honghua, Tusizi, Yinyanghuo, and Shechuangzi. The samples were digested with HNO3-HClO4 with a proportion of 4:1. The rates of standard recovery of Cu, Fe, Mn, Zn, Ni, Co were 99.5%, 100.8%, 97.8%, 97.1%, 102.1% and 96.4% respectively. The results show that the invigorate drugs contain higher amounts of Cu, Fe, Mn, Zn than other elements.

A method for the determination of selenium by hydride generation atomic fluorescence spectrometry (HG-AFS) was proposed in this paper. The experimental conditions including the temperature of atomizer, height of atomizer, lamp current, flow rate of carrier gas, concentration of KBH4, and acidic medium that affect the generation of hydride and the sensitivity of the method were investigated and optimized. The influence of coexisting foreign ions on the determination of selenium was also investigated. The detection limit of the proposed method was found to be 0.21 ng.mL-1. The proposed method was successfully applied to the determination of selenium in ten kinds of Chinese herbs, and the recoveries were in the range of 95%-105%.

The determination of trace lead in Huaiyao after separating and enriching with sulfhydryl cotton by FAAS is described in this paper. The enriching and eluting conditions were studied. The recovery of lead is 97.0%-102.0%. RSD is less than 4.3% sulfhydryl cotton is effective in eliminating the interference for common existing elements. The characteristics of this method is fast, simple and convenient. The determine results were consistent.

This paper reports that the sulfur compounds of traditional Chinese medicine were reduced to S2- by Auger reagent, and determined by cold atomic fluorescence. At the same time the trace mercury was determined. The conditions the for quantitative determination of Hg2+ and S2- were obtained. The linear range of the determination is 11.20-55.60 mg.mL-1, the correlation coefficient is 0.999 78. In this method, little reagent is needed, the treatment of the sample is simple, the process of determination is convenient, and the sensitivity is high.

The 9 kinds of Chinese traditional medicines which are used to cure diabetes including Xiaokewan, Yuquanwan, Kelening, Jiangtangshu, Jiangtang I-V are digested with HNO3-HClO4 (4:1) mixed acid. The 12 trace elements of copper, zinc, nickel, cobalt, manganese, chromium, molybdenum, iron, calcium, magnesium, cadmium and lead in the solution are determined by atomic absorption spectrometry. Its recovery ratio by standard addition is 97%-105%, and RSD is lower than 5%. This method has good accurate. The results obtained show that except Cd and Pb all other ten trace elements contents in the drug are high. The results of this paper provide useful data for studying the relation between the contents of these trace elements and the medical effect.

This paper presents a method for the determination of manganese in the organism of the Chinese herbal medicine of the Polygonum multiflorum. Manganese was complexes, extracted and determined by FAAS. The opimum condition of experiment was studied. The accuracy and the detection limit were 7.6 and 8.4 ng.mL-1 respectively. The Mn was determined in range of 0.00-2.00 micrograms.mL-1. The relative standard deviation was 1.77%.

In this paper, two groups of Chinese herbs are investigated, one includes four species of rhubarb in which only one is used to treat against diseases and illnesses as Traditional Chinese Medicine, the other group is a common anemarrhena rhizome, it is found to mix with different materials in it. Both of them are directly identified by means of Fourier transform Raman spectroscopy for the first time. The tiny, delicate varied chemical components of different raw Chinese herbs lead to different characters in vibration frequency of Raman functional groups. It is found that the vibration frequency variance follows a certain specific regularity. The method is more precise and quick than traditional approaches. What is more, it will not damage samples.

The contents of K, Na, Ca and Mg in three Yingpingwanbixiao and one Yingpingwanbitong were determined by FAAS. The results showed that the contents of K, Na, Ca and Mg in Yingpingwanbixiao and Yingpingwanbitong were all abundant. This paper provided useful data for the relationship between the therapeutic efficacy and the contents of magnificence elements in Yingpingwanbixiao and Yingpingwanbitong.

A new method for analysing the ingredients of Isrhynchophylline in Uncaria Rhynchophylla Jacks by thin layer chromatography (TLC) and the surface-enhanced Raman spectroscopy (SERS) is reported in this paper. The results show that the characteristic spectra bands of Isrhynchophylline situated at the thin layer with the amount of sample about 2.5 micrograms were obtained. The difference between SERS and solid spectra was found. Great enhancement of the 1,615 cm-1 spectral band was abstained. Molecule was absorbed in surface silver sol by pi electrons in phenyl and by pair of electrons in N together. An absorption model of Isrhynchophylline and silver sol was proposed. This method can be used to analyse the chemical ingredients with high sensitivity.

The latest development of the molecular vibrational spectroscopy (Fourier Transform Raman Spectroscopy and Fourier Transform Infraed Spectroscopy) and the latest application of the non-destructive identification, quantitative analysis, thermal-stability monitoring and Chinese medicine optimizing were described in this paper. Some Chinese crude herbs can be directly and quickly identified by Fourier Transform Raman spectroscopy (FT - Raman) and Diffused Reflection Fourier Transform Infrared Spectroscopy (DR-FTIR). The content of Chinese herbs, medicine and medicament can be quantified without destruction by Diffused Reflection Fourier Transform and Near Infrared Spectroscopy (DR-NIR-FTIR). The mechanism of interaction between the Chinese medicine and some cells or bacteria can be in situ monitored by FT-Raman and HATR-FTIR. Best medicine could be selected and medicament could be optimized according to the injury degree of the cell or bacteria. The decomposing and degenerating process of medicines can also be timely monitored by FT-Raman and the temperature controlled FTIR. These are the latest use of molecular spectroscopy in Chinese medicine. The fast indentification, quantitative analysis monitoring, thermal stability predicting and the optimizing of Chinese herbs, medicine and medicament can be guided by the above mentioned methods. It is proved that these methods are nondestructive to samples, fast accurate, and easy to use.

In this paper, a hydride generation non-dispersive atomic fluorescence spectrometry method has been developed for the determination of trace arsenic, antimony, selenium and mercury in Chinese herbal medicine in Qinghai-Xizang plateau. Under the optimum condition, the quantities of fourteen interference elements are below certain non-interferent limits. The detection limits were as follow (g/mL): As 1.3, Sb 0.39, Se 0.24 and Hg 0.44. The relative standard deviation of 9 determination was As 2.4-4.2%, Sb 2.5-5.6%, Se 3.1-5.0% and Hg 3.8-5.9%. The recovery of four elements was 94.7-105.4%. This method is simple, rapid, sensitive and accurate, and has been successfully tested with As, Sb, Se and Hg in more than 20 kinds of Chinese herbal medicine in Qinghai-Xizang plateau.