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2009 Vol. 29, No. 07 Published: 2009-07-01

光谱学与光谱分析

	1729	Terahertz Time-Domain Spectroscopy of L-Ascorbic Acid
		CAO Bing-hua,ZHANG Guang-xin,HOU Di-bo, HUANG Ping-jie,ZHOU Ze-kui
		DOI: 10.3964/j.issn.1000-0593(2009)07-1729-03
		The present paper reports the theoretical and experimental vibrational frequencies of L-ascorbic acid in the frequency range from 0.2 to 2.4 THz respectively. The vibrational frequencies of L-ascorbic acid in the THz range were simulated by Becke-3-Lee-Yang-Parr (B3LYP) algorithm of density functional theory. Simultaneously, the absorption and refractive index spectra of L-ascorbic acid were obtained using terahertz time-domain spectroscopy (THz-TDS). Based on the results from density functional calculations, the observed vibrational peaks were assigned with the aid of Gaussian View 3.07. Finally, the terahertz absorption spectra of tablets of vitamin C were compared with those of L-ascorbic acid. It was found that L-ascorbic acid had some distinct fingerprint spectra in the THz region and the theoretical results were in good agreement with the experimental results. The observed vibrational peaks were induced jointly by the intramolecular and intermolecular vibrations. The absorption peaks of L-ascorbic acid could be observed in the absorption spectra of the tablets of vitamin C. Our research is helpful to understanding the role of L-ascorbic acid in biological reactions. Still, the research results show the potential of the application of THz-TDS in the quantification of L-ascorbic acid.
		2009 Vol. 29 (07): 1729-1731 [Abstract] ( 1913 ) PDF (1362 KB) ( 776 )

	1732	Measurement of Fine-Structure Branching Ratios for Rb-He Optical Collisions
		Lü Lei, LI Lin, DENG Yu-hua, ZHANG Yan-wen, DAI Kang, SHEN Yi-fan^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1732-04
		Experimental ratios of branching in the fine-structure levels of the Rb5P multiplet, as a consequence of an optical collision with He, are reported. The process studied is Rb(5S_1/2)+He+hν→Rb(5P_J)+He, where the pulsed laser frequency ν is tuned in the wings of the Rb resonance transitions. The authors defined the detuning Δ to be ν-ν(D₂)(Δ＞0) for laser frequency ν highter than that of RbD₂ transition and to be ν-ν(D₁)(Δ＜0) for ν lower than the RbD₁ transition. As RbHe molecular states are correlated to the two 5 ²PJ states, there is some likelihood that the molecule will dissociate into 5 ²P_1/2 or 5P_3/2 state. The dissociation results in a nonuniform distribution of atomic Rb5P_J states. The branching ratios are defined as n₁/n₂, where n₁ and n₂ are densities of the 5P_1/2 and 5P_3/2 states dissociated. To determine experimentally the relative cross section for scattering into the two fine-structure states, the relative time-intergrated intensities of the resulting Rb emission lines, I(5P_3/2→5P_1/2)[I(D₂)] and I(5P_1/2→5P_3/2)[I(D₁)] , were measured. The ratios are determined by detunings from about 200 cm^-1 in the blue wing to -180 cm^-1 in the red wing of the Rb5P multiplet. A rate equation analysis of the pressure dependence was yielded. The branching ratios and cross sections for collisional 5P_1/2→5P_3/2 transition were obtained from the slope and intercept. The blue-wing branching ratios show a detuning-dependent approach to limit of 0.2. The branching was found to be very large (～40) in the red wing, irrespective of the detuning. Fine structure changing cross section (1.1±0.3)×10^-17 cm² was measured from wing excitation, and the result is consistent with the cross section obtained from resonant excitation of the Rb5P_J state. The measurements show a strong sensitivity to interatomic potentials and to nonadiabatic effects in dissociation dynamics.
		2009 Vol. 29 (07): 1732-1735 [Abstract] ( 1738 ) PDF (1319 KB) ( 518 )

	1736	Electroluminescence from a Mn²⁺ Activated SiO₂∶Si Film on n⁺-Si Substrate
		WEN Jie, CHEN Ting, RAN Guang-zhao^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1736-04
		Recently, a monolithic integration of optics and electronics in a single Si chip has attracted a great deal of attention due to its attractive application prospects: the potential for forming high speeded information processing and transmission, and inexpensive and low power silicon chip. Developing high-efficiency silicon-based light sources is the main task in silicon photonics. In the present paper the authors explore a potential way for silicon-based light-emitting application. A Mn²⁺-activated silicon-rich silicon oxide (SiO₂∶Si∶Mn²⁺) film was prepared on the n⁺-type silicon substrate using co-sputtering technique followed by doping and activation of Mn with a thermal diffusion method. High-resolution transmission electronic microscope study shows that the film is embedded with 3-5 nm silicon nanocrystals. Bright green photoluminescence (PL) from the film was observed under ultraviolet radiation and peaked at 524 nm (2.36 eV), the decay time of which is 0.8 ms. It is generally believed that the green radiation originates from ⁴T₁→⁶A₁ transition in Mn²⁺. The PL excitation spectrum of the film, monitored at 524 nm, has a peak of 254 nm, similar to that of the Zn₂SiO₄∶Mn film. It is believed that the strong 254 nm absorption is attributed to Mn²⁺→Mn³⁺ ionization or d⁵→d⁴s transition. A very broad electroluminescence spectrum ranging from 400 to 800 nm, covering almost the whole visible band, was observed from the device made of the SiO₂∶Si∶Mn²⁺ film at low reverse biases. The threshold voltage of the device is as low as 5 V. Spectra of the device demonstrate that the electroluminescence is attributed to Mn²⁺ and luminescence centers in the Si-rich SiO₂ film. The authors interpret that Mn²⁺ excitation is mainly due to direct impact excitation of hot electrons, silicon nanocrystals in the SiO₂ film help electrons tunnel from a silicon nanocrystal to an adjacent one, and are advantageous for generating hot electrons to excite Mn²⁺.
		2009 Vol. 29 (07): 1736-1739 [Abstract] ( 1784 ) PDF (1448 KB) ( 564 )

	1740	Photoluminescence from Bis-t-Butylbenzoxazolylthiophene Doped Silica Films
		WANG Jun-ling¹, HE Zhi-qun^1*, WANG Yong-sheng¹, MU Lin-ping¹, YE Shi², JING Xi-ping²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1740-05
		Thin nano-porous silica films doped with high concentrations of fluorescent material, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-thiophene (BBOT) were prepared via a sol-gel process. Uniform and bright blue fluorescence was observed. Light emission properties of these organic molecule doped inorganic silica films, i.e., hybrid films, were measured using ultraviolet-visible (UV-Vis) absorption spectroscopy, steady and time-resolved fluorescence spectroscopy as well as optical microscopy. Features of these materials were revealed in this investigation: Firstly, photoluminescence intensity from BBOT doped silica films increased linearly as the concentrations of BBOT increased if the dopant concentration was relatively low and below 6×10^-3 mol·L^-1; Secondly, no molecular aggregation or phase separation was observed using optical microscopy when the BBOT concentration was below 6×10^-3 mol·L^-1 in BBOT doped silica films. Thirdly, the fluorescence lifetimes of BBOT in the doped silica films were longer than that in a dilute dioxane solution (1.957 ns), which was contradicted to our general understanding that the fluorescence lifetime may be reduced in a condensed matter due to molecular interactions or quenching. It was further found that the fluorescence lifetime also varied with the gelation conditions. Taking a BBOT concentration of 6×10^-3 mol·L^-1 for an example, the lifetime of BBOT in doped silica films was about 2.45 ns for a specimen polymerized at 50 ℃; while the lifetime was increased to 3.04 ns for a specimen polymerized at 90 ℃. This work demonstrates no concentration quenching when the BBOT dopant concentrations increased to as high as 6×10^-3 mol·L^-1 in the silica matrix. In comparison with the changes in time-resolved photoluminescence of BBOT in dioxane solution and that of the BBOT doped nano-porous silica in relation to their concentration dependence and the gelation conditions, it was found that concentration quenching can be effectively suppressed by the nano-porous silica matrix. A stable fluorescent organic-inorganic hybrid material is thus obtained.
		2009 Vol. 29 (07): 1740-1744 [Abstract] ( 2287 ) PDF (1488 KB) ( 457 )

	1745	Molecular Imprinting-Flow Injection Chemiluminescence Method for Determination of Doxycycline Hydrochloride
		ZHOU Yan-mei¹, ZHANG Cheng-li¹, LEI Jian-du², MA Tong-sen¹, MA Guang-hui², SU Zhi-guo², CHAO Yang¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1745-05
		Doxycycline hydrochloride can enhance the chemiluminescence of potassium ferricyanide and luminol in alkaline medium. So a molecular imprinting-flow-injection chemiluminescence method for the determination of doxycycline hydrochloride was established by using doxycycline hydrochloride-imprinted polymers as recognition material and potassium ferricyanide and luminol as detection system. Doxycycline hydrochloride-imprinted polymer was synthesized using methacrylic acid as functional monomer and ethylene glycol dimethacrylate as cross-linker. The linear range is 9.0×10^-7-6.0×10^-5 g·mL^-1 and the detection limit is 3.2×10^-7 g·mL^-1. The relative standard deviation for 6.0×10^-6 g·mL^-1 of doxycycline hydrochloride was 3.5% (n=9). This method has been successfully applied to the determination of doxycycline hydrochloride in tablets and in urine samples.
		2009 Vol. 29 (07): 1745-1749 [Abstract] ( 538 ) PDF (1188 KB) ( 716 )

	1750	FTIR Spectroscopic Study on Gallbladder Carcinoma Cell and Nucleus
		SUN Xue-jun¹, SUN Feng-lei¹,DU Jun-kai¹,PAN Qing-hua²,ZHANG Yuan-fu²,XU Yi-zhuang², SHI Jing-sen^1*, WU Jin-guang²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1750-04
		The aim of the present research is to establish the cell basis for the carcinoma tissue diagnosis by exploring a method to obtain the FTIR (Fourier transform infrared spectra) of the cultured carcinoma cell and nucleus with FTIR spectroscopy, and investigating the special spectral features of the carcinoma cell and nucleus compared with the carcinoma tissues. In this paper, the gallbladder carcinoma tissues confirmed by histology were measured using a Nicolet Magna 5700-Ⅱ FTIR spectrometer and the corresponding FTIR spectra were obtained. The cultured gallbladder carcinoma cell (GBC-SD) and nucleus were centrifuged to provide a small pellet of cell and nucleus for FTIR analysis. The cell and nucleus pellet was then placed on the OMNIC sampler. Then the infrared spectra were recorded by the same equipment. Based on the previously established criteria, a comparative study was subsequently carried out between the spectra of the cultured carcinoma cell and nucleus (GBC-SD) and that of the corresponding gallbladder tissues. Several infrared spectral features of the carcinoma cell and nucleus were obtained. All the results suggest that the spectral features of the carcinoma cell and nucleus can be well reflected by that of the carcinoma tissue, though the later is more complicated, which might originate from the intrinsic complexity of the tissue. This study shows that the diagnosis of carcinoma tissue by FTIR method exhibits sufficient cell basis.
		2009 Vol. 29 (07): 1750-1753 [Abstract] ( 1698 ) PDF (1272 KB) ( 834 )

	1754	Cotton Identification and Extraction Using Near Infrared Sensor and Object-Oriented Spectral Segmentation Technique
		DENG Jin-song^{1, 2}, SHI Yuan-yuan^{1, 2}, CHEN Li-su^{1, 2}, WANG Ke^{1, 2*}, ZHU Jin-xia^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2009)07-1754-05
		The real-time, effective and reliable method of identifying crop is the foundation of scientific management for crop in the precision agriculture. It is also one of the key techniques for the precision agriculture. However, this expectation cannot be fulfilled by the traditional pixel-based information extraction method with respect to complicated image processing and accurate objective identification. In the present study, visible-near infrared image of cotton was acquired using high-resolution sensor. Object-oriented segmentation technique was performed on the image to produce image objects and spatial/spectral features of cotton. Afterwards, nearest neighbor classifier integrated the spectral, shape and topologic information of image objects to precisely identify cotton according to various features. Finally, 300 random samples and an error matrix were applied to undertake the accuracy assessment of identification. Although errors and confusion exist, this method shows satisfying results with an overall accuracy of 96.33% and a KAPPA coefficient of 0.926 7, which can meet the demand of automatic management and decision-making in precision agriculture.
		2009 Vol. 29 (07): 1754-1758 [Abstract] ( 1940 ) PDF (4422 KB) ( 611 )

	1759	NIR Spectral Analysis for Soil Textural Classification
		ZENG Qing-meng¹, SUN Yu-rui^1*, YAN Hong-bing²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1759-05
		Using 25 soil samples with known textural compositions, 2 types of NIR instruments, 3 spectral methods associated with 3 spectrum ranges and 3 sampling intervals, the approach to soil textural classification was investigated. From the results obtained, the following conclusions can be drawn: (1) The chemical information could be identified from the peak of the spectral curves, whereas the slope and intercept of spectral curves concerning soil texture resulted from the physical properties of soil samples. Moreover, the intensity of chemical and physical properties varied in different spectra; (2) The distinguishing ability of NIR was limited, depending on the classification criterion proposed; (3) Being tested with four classifaction criterions, the maximal predicting probability was 72%. In the case of sand <70% and clay <40%, the maximum was up to 85%; (4) Either acquiring scatter information from the surface of soil samples or extending spectral bands could improve the predicting probability.
		2009 Vol. 29 (07): 1759-1763 [Abstract] ( 1333 ) PDF (1659 KB) ( 716 )

	1764	The Secondary Structure of Winter-Wheat-Bran Antifreeze Protein Determined by FTIR and CD Spectrum
		ZHANG Chao^{1, 2}, ZHANG Hui^2*, ZHAO Xiao-yan¹, MA Yue¹, YAO Hui-yuan²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1764-04
		The secondary structure of winter wheat bran antifreeze protein was analyzed by FTIR and CD spectra. The characteristic peaks of the secondary structure of the winter wheat bran antifreeze protein were overlapped from the FTIR analysis. The overlapped peaks of amide Ⅰ and Ⅲ of the winter wheat bran antifreeze protein were fitted by the Gauss peak to show the characteristic peaks of the α-helix, β-sheet, β-turn and random coil. The CD spectrum was evaluated by the Chen-Yang principle and analyzed by the least squares method. Furthermore, the difference between the two analyses was discussed. The final results showed that the α-helix, β-sheet, β-turn and random coil of the winter wheat bran antifreeze protein was 15.05%-15.87%, 36.00%-36.92%, 17.31%-17.75%, and 30.30%-30.82%, respectively. The result would be helpful to the study of the antifreeze mechanism of the winter wheat bran antifreeze protein.
		2009 Vol. 29 (07): 1764-1767 [Abstract] ( 1260 ) PDF (1476 KB) ( 665 )

	1768	Study of Simplification of Prediction Model for Kiwifruit Firmness Using Near Infrared Spectroscopy
		Lü Qiang, TANG Ming-jie, ZHAO Jie-wen, CAI Jian-rong^*, CHEN Quan-sheng
		DOI: 10.3964/j.issn.1000-0593(2009)07-1768-04
		To simplify the prediction model of kiwifruit firmness, SNV was used to preprocess the near infrared(NIR)spectra (1 000-2 500 nm)of kiwifruit. PLS model simplification by optimizing spectral intervals and decreasing the number of factors through net analyte preprocessing(NAP)was carried out. Results showed that the performance of NAP/PLS model is the best. It was achieved with 5 factors in five wavenumber ranges(5 189-5 370, 4 549-4 620, 6 049-6 230, 6 999-7 730, and 6 249-6 614 cm^-1). The optimal model was achieved with R²=0.819 41 and RMSECV=0.701 77 in the calibration set and R²=0.780 67 and RMSEP=0.882 71 in the prediction set. This indicates that the model not only may efficiently simplify PLS model, but also may improve precision and predictive ability.
		2009 Vol. 29 (07): 1768-1771 [Abstract] ( 1937 ) PDF (1344 KB) ( 809 )

	1772	*Diagnosis of Chronic Enteritis of Alpine Musk Deer (Moschus Chrysogaster) Based on Visible-Near Infrared Reflectance Spectra of Feces*
		LIANG Liang^{1, 2}, LIU Zhi-xiao^{1, 2*}, PAN Shi-cheng³, ZHANG Xue-yan³, BAI Zhen-qing³, WANG Cheng-hua², YANG Min-hua¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1772-05
		A new method was put forward to diagnose chronic enteritis of alpine musk deer (Moschus chrysogaster) by visible-near infrared reflectance spectra of feces. A total of 125 feces samples, including 70 samples from healthy individuals (healthy samples) and 55 samples from chronic enteritis sufferers (diseased samples), were collected in Xinglongshan musk deer farm, Gansu province. The spectral scan was carried out in the darkroom (temperature 18 ℃-22 ℃, humidity 22%-25% and halogen lamp as a sole light source) with an ASD FieldSpec^®3 spectrometer. All the samples were divided randomly into two groups, one with 95 samples as the calibration set, and another with 30 samples as the validation set. The samples data were pretreated by the methods of S.Golay smoothing and first derivative. The pretreated spectra were analyzed by principal component analysis (PCA), and the top 6 principal components, which were computed by PCA and accounted for 95.16% variation of the original spectral information, were used for modeling as the new variables. The data of the calibration set were used to build models for diagnosing the chronic enteritis of alpine musk deer by means of back-propagation artificial neural network (ANN-BP), fuzzy pattern recognition, Fisher linear discriminant and Bayes stepwise discriminant, respectively. The predicted outcomes of the 30 unknown samples in validation set showed that the accuracy was 86.7% by the method of Fisher linear discriminant, 90% by fuzzy pattern recognition and ANN-BP model, and 93.3% by stepwise discrimination. Further analysis found that all misdiagnosed samples were derived from the healthy samples, which were treated as disease samples, and the detection rates of diseased samples were 100% by the four different methods. The results indicated that it was feasible to diagnose the chronic enteritis of alpine musk deer by visible-near infrared reflectance spectra of feces as a rapid and non-contact way, and the PCA combined with Bayes stepwise discriminant was a preferred method.
		2009 Vol. 29 (07): 1772-1776 [Abstract] ( 1924 ) PDF (1271 KB) ( 562 )

	1777	Research on Key Technologies of All Fiber Optic Fourier Transform Spectrometer
		WANG An, ZHU Ling^*, ZHANG Long, LIU Yong, ZHU Zhen, LI Zhi-gang, WU Jian-dong, FAN Yan-ping
		DOI: 10.3964/j.issn.1000-0593(2009)07-1777-04
		A noval all fiber optic Fourier transform spectrometer based on single mode fiber Mach-Zehnder interferometer is reported. The authors designed a piezoelectric optical phase modulator with two centimeter scan scale, which was used to replace the moving mirror of traditonal Fourier transform spectrometer. The 1 310 nm DFB laser was used as reference light source to make equal interval sampling of test light source’s interferogram, and to eliminate errors of nonlinear modulation. Through making the inverse Fourier transform to test light source’s interferogram, the authors obtained the spectrum of test source. The spectrum of ASE broadband light source was measured by FFTS system, and the experiment result agrees with that tested by grating spectrometer. Finally, the authors utilized fiber grating as sample to measure the resolution of FFTS system, and the spectral resolution is 0.78 cm^-1.
		2009 Vol. 29 (07): 1777-1780 [Abstract] ( 2474 ) PDF (1418 KB) ( 632 )

	1781	Monitoring the Synthesis of N,N-Diphenyl Urea by IR-Online
		YAO Jie, KANG Tao, HU Xiao-jia, CHEN Tong^, LEI Yong-cheng, WANG Gong-ying^
		DOI: 10.3964/j.issn.1000-0593(2009)07-1781-03
		IR-online detector, React IRTM 4000, was used to monitor the synthesis of N,N-diphenyl urea from urea and aniline. The concentration changes of the reaction components were obtained according to the characteristic IR absorbance changes of the reactants (urea and aniline) at 1 420 and 1 270 cm^-1 respectively, the intermediate product (monophenylurea) at 1 339 cm^-1 as well as the product (N,N-diphenyl urea) at 1 312 cm^-1. In the present study, the result showed that the synthesis of N,N-Diphenyl urea was carried out by two steps. Firstly, the intermediate product monophenylurea was synthesized from urea and aniline, and then N,N-diphenyl urea was obtained by the reaction of monophenylurea with aniline. It was also shown that the IR-online detector was a fast, simple and exact technique to optimize the reaction time and so the reaction course could be easily controlled. The result of IR-online spectrometry was approved by offline reference high performance liquid chromatography (HPLC) method. As a result, the IR-online spectrometry was superior to HPLC method since it was a nondestructive method without the need to sample the reaction medium.
		2009 Vol. 29 (07): 1781-1783 [Abstract] ( 1247 ) PDF (1369 KB) ( 488 )

	1784	Quantitative Prediction of Holocellulose, Lignin, and Microfibril Angle of Chinese Fir by BP-ANN and NIR Spectrometry
		DING Li¹, XIANG Yu-hong¹, HUANG An-min², ZHANG Zhuo-yong^1*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1784-04
		The amount of holocellulose, lignin, and microfibril angle of Chinese fir was predicted by using back-propagation neural network (BP-ANN) combined with near infrared (NIR) spectrometry. First, the data of original spectra were pretreated by Savitzky-Golay smoothing algorithm and the second derivative, then the data of near infrared spectrometry with 171 points were compressed to 86 points by using wavelet transform, and finally, the models were established by using BP-ANN. The models were validated using leave-n-out cross-validation approach，and the influences of the number of hidden neurons, learning rate, momentum, and epochs were discussed in the present paper. The prediction samples, which were not used in the model generation, were predicted by using the obtained models, the correlation coefficients (R²) of holocellulose, lignin and microfibril angle were 0.91, 0.90 and 0.87, respectively. The root mean square errors of prediction (RMSEP) of the established models were 0.86%, 0.33%, and 4.99%, respectively. The obtained results showed that the method is fast and nondestructive and can basically satisfy the requirement of quantitative analysis.
		2009 Vol. 29 (07): 1784-1787 [Abstract] ( 1873 ) PDF (1450 KB) ( 680 )

	1788	Biosorption of Lead Ions on Dried Waste Beer Yeast and the Analysis by FTIR
		DAI Qun-wei^{1, 2}, DONG Fa-qin^1*, ZHANG Wei¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1788-05
		The biosorption of lead ions on dried waste beer yeast was investigated with respect to the adsorption conditions and the biosorption mechanism was analyzed with the instruments of AAS, SEM/EDS and FTIR. The results show that the metal uptake value obtained was 47.6 mg·g^-1 and the adsorptive efficiency was above 90%. Under our experiment conditions, the biosorption of Pb²⁺ on dried waste beer yeast is a fast process. The biosroption quantity of Pb²⁺ on beer yeast cells was 47.6 mg·g^-1 and the adsorption efficiency obtained was 91.6％in fisrt 30 min, then the metal uptake value obtained was 48.8 mg·g^-1 and the adsorptive efficiency was above 94% at 90 min. The cells cracking and breaking off were seen after the biosorption of lead ions on beer yeast through SEM analysis, and the cytoplasts from yeast cell should be responsible for the last period biosorption of lead ions. EDS analysis also proved that lead ions were absorbed on the yeast cells. FTIR analysis showed that the infrared spectrograms are different at different pH and biosorption time, especially hydroxyl groups, carboxylate groups and amide groups have obviously changed. Amylase and amide of protein were considered as main components to participate the chemical absorption of lead ions on yeast cells. Consequently, dried waste beer yeast is an inexpensive, readily available adsorbent for metals and especially has a high adsorption capacity for lead ions.
		2009 Vol. 29 (07): 1788-1792 [Abstract] ( 2433 ) PDF (1687 KB) ( 508 )

	1793	A New Algorithm for NIR Modeling Based on Manifold Learning
		HONG Ming-jian^{1, 2, 3, 4}, WEN Zhi-yu^{1, 2, 3}, ZHANG Xiao-hong⁴,WEN Quan⁴
		DOI: 10.3964/j.issn.1000-0593(2009)07-1793-04
		Manifold learning is a new kind of algorithm originating from the field of machine learning to find the intrinsic dimensionality of numerous and complex data and to extract most important information from the raw data to develop a regression or classification model. The basic assumption of the manifold learning is that the high-dimensional data measured from the same object using some devices must reside on a manifold with much lower dimensions determined by a few properties of the object. While NIR spectra are characterized by their high dimensions and complicated band assignment, the authors may assume that the NIR spectra of the same kind of substances with different chemical concentrations should reside on a manifold with much lower dimensions determined by the concentrations according to the above assumption. As one of the best known algorithms of manifold learning, locally linear embedding (LLE) further assumes that the underlying manifold is locally linear. So, every data point in the manifold should be a linear combination of its neighbors. Based on the above assumptions, the present paper proposes a new algorithm named least square locally weighted regression (LS-LWR), which is a kind of LWR with weights determined by the least squares instead of a predefined function. Then, the NIR spectra of glucose solutions with various concentrations are measured using a NIR spectrometer and LS-LWR is verified by predicting the concentrations of glucose solutions quantitatively. Compared with the existing algorithms such as principal component regression (PCR) and partial least squares regression (PLSR), the LS-LWR has better predictability measured by the standard error of prediction (SEP) and generates an elegant model with good stability and efficiency.
		2009 Vol. 29 (07): 1793-1796 [Abstract] ( 759 ) PDF (1284 KB) ( 663 )

	1797	Study on Compatibility of Coptidis-Evodia Couples by FTIR Spectroscopy
		WU Yan-wen¹, SUN Su-qin², XIAO Xiao-he³, ZHANG Jing-hua¹, JIN Cheng³
		DOI: 10.3964/j.issn.1000-0593(2009)07-1797-04
		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.
		2009 Vol. 29 (07): 1797-1800 [Abstract] ( 1270 ) PDF (1728 KB) ( 486 )

	1801	Study on the Function Group Uniformity of Polystyrol Sulfonyl Chloride Resins by Infrared Spectra
		LIN Xian, WEI Rong-qing, LIU Xiao-ning^*, ZHOU Rui
		DOI: 10.3964/j.issn.1000-0593(2009)07-1801-04
		The reactions of polyvinyl benzene with chlorosulfonic acid were performed under different ratio and reaction time and the results of chloro-sulfonation were detected by infrared spectrometer (380FT-IR). The characteristic peak at 1 601.5 cm^-1 belongs to benzene ring and was selected as the internal standard peak. Two characteristic peaks at 1 377.4 and 3 476.8 cm^-1 were selected as reference peaks, and belong to sulfonyl chloride and sulfonic group respectively. According to the Lambert-Beer law, the absorbance at 1 377.4 and 3 476.8 cm^-1 was detected and compared with absorbance at 1 601.5 cm^-1 respectively. The value of A_{1 377.4}∶A_{3 476.8} was used to express uniformity of polystyrol sulfonyl chloride resins. The results show that: (a) After 0.5 h, A_{1 377.4}∶A_{1 601.5} rises quickly with the prolonging of reaction time; and A_{3 476.8}∶A_{1 601.5} rises too，but descends after 1 h. And the value of A_{1 377.4}∶A_{3 476.8} rises with the prolonging of reaction time after 1 h. (b) When the ratio of HSO₃Cl and PS is less than 1∶1, A3 476.8∶A_{1 601.5} rises with the ratio increasing, but when the ratio of HSO₃Cl and PS is more than 1∶1, A_{3 476.8}∶A_{1 601.5} descends while A_{1 377.4}∶A_{1 601.5} appears and increases following the increase in the ratio. As the ratio was 4∶1, A_{1 377.4}∶A_{1 601.5} and A_{3 476.8}∶A_{1 601.5} show stabilization. In one step reaction condition, as the ratio of HSO₃Cl and PS is 4∶1, the reaction can enhance uniformity of PS-SO₂Cl at 60 ℃ for 5 h (the loading of sulfonyl chloride is 4.0 mmol·g^-1). It was also confirmed that the function group uniformity of polystyrol sulfonyl chloride resins could be determined by infrared spectroscopy conveniently and quickly. Meanwhile, this method could be adopted to determine the function group uniformity practicably and widely.
		2009 Vol. 29 (07): 1801-1804 [Abstract] ( 1961 ) PDF (1357 KB) ( 623 )

	1805	Feasibility of Using Ethanol Liquor NIRS Model to Predict Ethanol in Vinous Ferment Liquid
		GENG Zhao-xi,SUN Qian,TIAN Lei,HAN Dong-hai^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1805-04
		The robust NIRS model must be developed by the representative samples and precise chemical values, taking much of work. To reduce the calibration work, the present paper explored the NIRS model developed using ethanol liquor to predict ethanol of the wine samples. The authors used the gene arithmetic (GA) method to select the calibration region(2 245-2 320 nm)which has relatively high correlation with the consistency of ethanol in ethanol liquor and has little interfere by other components in wine. To remove the systematic error between the calibration set of ethanol liquor and the prediction set of turbid vinous ferment liquid, according to the method of slope/bias, the authors selected 21 samples in prediction set which can represent the range of consistency of vinous ferment liquid to revise the ethanol model in order to predict the remaining wine samples well. After the calculation, the authors obtained the bias and the slope to be 0.523 3 and 0.980 8, respectively. Then we predicted the other turbid samples of wine using the ethanol liquor model after being revised by the slope/bias method. And the prediction model for the ethanol of turbid samples was developed, with r, RPD and RSD for the prediction model for ethanol of samples being 0.99%, 11.71% and 3.11%, respectively, indicating that the ethanol liquor model is robust and can serve as the model of vinous ferment liquid to detect the ethanol of the wine. So this method can largely reduce the calibration work during the NIR calibration process, and has the practical feasibility and application value.
		2009 Vol. 29 (07): 1805-1808 [Abstract] ( 335 ) PDF (1503 KB) ( 842 )

	1809	Analysis of the Phase Error Non-Linearity of FTS and Discussion about Mertz Method
		LIU Yue, ZHAO Yong-chao, GENG Xiu-rui, TANG Hai-rong, DING Chi-biao
		DOI: 10.3964/j.issn.1000-0593(2009)07-1809-04
		Fourier transform spectrometer is an important instrument in the remote sensing applications. There are phase error problems in the Fourier transform spectrometer signal processing procedure. In the present paper, the cause of phase error of Fourier transform spectrometers is shown firstly. It is mainly because of inaccuracy of sampling. Then the nonlinearity of phase error is analyzed. It is suggested that it is because that the interferogram is of finite length and the interferogram is discrete that this nonlinearity exists. The authors studied this problem with a new method. The nonlinearity is shown by rigorous derivation and the authors draw the conclusion by reasoning. Then through the nonlinearity of phase error, the authors have a discussion on the possible error in the Mertz phase correcting method. The possible error lies in the phase interpolation procedure, a part of Mertz method. A method consisting of zero adding and transforming is given to reduce this error. The methods are compared and illustrated by an experiment which uses simulated interferogram from standard spectrum library. The experiment demonstrates that the method of zero adding and transforming can reduce the phase error of phase interpolation and improve the problem of rapid phase change under some circumstances, which can help get better spectrum.
		2009 Vol. 29 (07): 1809-1812 [Abstract] ( 712 ) PDF (1229 KB) ( 539 )

	1813	Comparison of the Models of Mixed Liquid Samples under Different Near-Infrared Spectral Resolutions
		WANG Dong,YE Sheng-feng,MIN Shun-geng^*,HAN Chen,HUANG Yue
		DOI: 10.3964/j.issn.1000-0593(2009)07-1813-05
		Models of near-infrared spectra under different resolutions, 1, 4, 16, 32 and 64 cm^-1, were studied with the mixed liquid samples of 4 components. The calibration models were developed by the method of partial least square and the validations of the models were carried out by the method of full cross. The value of target function was used to estimate the models performance. For the calibration models developed by the raw spectra, the target function values of benzene and benzaldehyde reached the max value with the resolution of 1 cm^-1, the target function value of toluene reached the max value with the resolution of 4 cm^-1, and the target function value of chlorobenzene reached the max value with the resolution of 16 cm^-1; for calibration models developed by the 1st derivative spectra, the target function values of the four components all reached the max value with the resolution of 1 cm^-1. The result suggested that, first of all, the resolution of the instrument will influence the quantitative analysis result. For the component with spectrum overlapped seriously, a higher resolution is good for the quantitative analysis, while for the analyte with a broad real band width, a lower resolution can be adopted in order to assure the signal to noise ratio. In addition, the influence of the resolution of the instrument is different for different components. Furthermore, the quantitative analysis result can be affected by both the SNR of the raw spectra and the band width of different components in the analyte, and a higher resolution is good for the quantitative model when the SNR of the spectra is assured.
		2009 Vol. 29 (07): 1813-1817 [Abstract] ( 319 ) PDF (1734 KB) ( 762 )

	1818	Improving the Prediction Model of Protein in Milk Powder Using GA-PLS Combined with PC-ANN Arithmetic
		SUN Qian, WANG Jia-hua, HAN Dong-hai^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1818-04
		The present paper presents a new NIR analysis method with partial least square regression (PLS) and artificial neural network (ANN) to improve the prediction precision of the protein model for milk powder. First, an efficient method named region selecting by genetic algorithms (RS-GA) was used to select the calibration region, and then the GA-PLS model was made to predict the linear part of the protein content in milk powder. And then in the region selected by RS-GA method, principal component analysis (PCA) was calculated. The principal components were taken as the input of ANN model. The remnant values by subtracting the standard values and the GA-PLS validation values were regarded as the output of ANN. The ANN model was made to predict the nonlinear part of the protein content. The final result of the model was the addition of the two model’s validation values, and the root mean squared error of prediction (RMSEP) was used to estimate the mixed model. A full region PLS model (Fr-PLS) was also made, and the RMSEP of the Fr-PLS, GA-PLS and GA-PLS+PC-ANN model was 0.511, 0.440 and 0.235, respectively. The results show that the prediction precision of the protein model for milk powder was largely improved when adding the nonlinear port in the NIR model, and this method can also be used for other complex material to improve the prediction precision.
		2009 Vol. 29 (07): 1818-1821 [Abstract] ( 2124 ) PDF (1175 KB) ( 595 )

	1822	Studies on the Herba Plantaginis of Different Kinds and Habitats by FTIR Reflection Spectroscopy-Chemometrics Analysis
		SUN Gong-lei¹,YU Peng¹,RUAN Qin¹,LI Dan-ting^1，2,CHENG Cun-gui^1*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1822-04
		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.
		2009 Vol. 29 (07): 1822-1825 [Abstract] ( 612 ) PDF (1424 KB) ( 550 )

	1826	Applications of Near Infrared Reflectance Spectroscopy in Detecting Chitin, Ergosterol and Mycotoxins
		YI Yong-yan¹,LI De-rong¹,ZHANG Yun-wei²,YANG Fu-yu^2*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1826-04
		The invasion extent and harmfulness of fungi can be determined by chitin, ergosterol and mycotoxins. It is important to monitor chitin, ergosterol and mycotoxins changes to prevent contamination of forage and feed products, and effectively control the sustainable development of the mildew. Predication of these chemical materials was often completed by laboratory analysis, which was time-consuming and cumbersome and could not reflect the results in time in the past. Near infrared reflectance spectroscopy (NIRS) is a rapid, convenient, highly efficient, nondestructive and low-cost analytical technique, which has been widely used in various fields such as food field and feed field for quantitative and qualitative analysis. It has a great potentiality of application in quality analysis. In this paper, the principle and the characteristic of NIRS and its applications in food, forage, feed and other agriculture products quality analysis were introduced. Its applications in fungal biomass (chitin, ergosterol) and mycotoxins were mainly reviewed. NIRS was used to quantify chitin，ergosterol and mycotoxins. Calibration equations and validation equations for these materials were developed. It is also expected that NIRS will play a more and more important role in the field of fungi with the establishment of calibration equation and improvement of model database.
		2009 Vol. 29 (07): 1826-1829 [Abstract] ( 1255 ) PDF (1001 KB) ( 896 )

	1830	*Identifying the Characteristics of FTIR Spectra of Herba Epimedii Icariin via* Wavelet Analysis and RBF Neural Network**
		CHEUNG Yiu-ming¹, ZHOU Qun², GUO Bao-lin³, SUN Su-qin^2*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1830-05
		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.
		2009 Vol. 29 (07): 1830-1834 [Abstract] ( 1791 ) PDF (1544 KB) ( 584 )

	1835	Ascertaining the Optimal Quantitative Wavenumber Range of Gas with Two-Dimensional Correlation Infrared Spectroscopy
		WANG Yan, YANG Jie-wen^*, LI Ning, ZHENG Wei
		DOI: 10.3964/j.issn.1000-0593(2009)07-1835-05
		It is important to determine the optimal wavenumber ranges of spectra for quantitative analysis in gas detection. In traditional way, selection of optimal wavenumber ranges is based on the absorption characteristics of standard spectra, while this may introduce some deviation to the result due to its low capability of anti-interference. Two-dimensional correlation infrared spectroscopy technology was applied in gas detection in the present paper. The spectral structure and spectral information of SO₂, NO and NO₂ were analyzed in order to determine the optimal wavenumber range. The dynamic spectra of the detected gas were gained by the two-dimensional correlation analysis of a series of infrared absorption spectra according to changing concentrations. The most sensitive wavenumber ranges to gas concentration were determined by combining synchronous correlation spectra and asynchronous correlation spectra. These were taken as the optimal wavenumber ranges for quantitative gas analysis, which included a series of unattached wavenumber points and continous wavenumber ranges. Results showed that the selected wavenumber ranges were consistent with theoretic analyzed results. Two-dimensional correlation infrared spectroscopy can be a novel way to determine the optimal spectral range for gas analysis.
		2009 Vol. 29 (07): 1835-1839 [Abstract] ( 1268 ) PDF (2759 KB) ( 443 )

	1840	Study of Quantitative Analysis of Protein in Barley Using OSC-PLS Algorithm
		HOU Rui^1，2,JI Hai-yan^1*,ZHANG Lu-da³
		DOI: 10.3964/j.issn.1000-0593(2009)07-1840-04
		Spectra of barley containing vast information were obtained with the dispersion spectrograph. The contents of protein in barley were determined by dispersive near infrared(NIR)spectroscopy. Pretreatment method of orthogonal signal correction (OSC) was used to reject uncorrelated variables in the original spectra before building the partial least squares NIR method(OSC-PLS). The results were compared with the regular PLS model. With the OSC-PLS method, the determination coefficient R² was 0.901. The correlation coefficient of validation set was 0.971 7. The standard deviation(SD)and relative standard deviation(RSD)were 0.545 0 and 4.2% respectively. Applying OSC-PLS resulted in removal of non-correlated variation in spectra and reduced model’s complexity with preserved ability and improved interpretative ability of variation in spectra. It means that the OSC-PLS is a fungible model to predict the contents of protein in barley veraciously to meet the demand of fast analysis of agricultural products.
		2009 Vol. 29 (07): 1840-1843 [Abstract] ( 1786 ) PDF (1172 KB) ( 947 )

	1844	Analysis of Belamcanda Chinensis with Space Flight Mutagenesis by FTIR
		ZHANG Hong-mei¹, GUAN Ying¹, SHI Jin-shan²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1844-03
		The amorphous active components of the space mutagenesis Belamcanda chinensis and the ground group were measured, compared and analyzed. The purpose was to get a comprehensive understanding of the changes in quality of the 4th generation space mutagenesis Belamcanda chinensis, accumulate data for further studies, and try to establish the quality criterions of space mutagenesis Belamcanda chinensis. The result shows that the FTIR spectra of the space sample are almost the same as that of the ground one in terms of the main absorption peaks positions and shapes, but there are obvious differences in intensities. The intensity of the absorption peak at 1 642 and 1 318 cm^-1 of the space group was remarkably enhanced than the ground group, but at 1 541, 1 456, 1 417 and 1 051 cm^-1 it was decreased compared to the ground group. At the same time, the peak at 1 642 cm^-1 of the stretching vibration of CO, the characteristic absorption of the keto, was remarkably enhanced. The peaks at 1 541 and 1 456 cm^-1 were assigned to C—C groups, the peak at 1 417 cm^-1 was due to the —CH₂— groups, the peak at 1 318 cm^-1 was the characteristic absorption of calcium oxalate monohydrate, and the peak at 1 051 cm^-1 was assigned to C—O groups. It was shown that the relative content of flavone was increased distinctly. Space mutation breeding is conducive to breeding new varieties of highly active ingredients, it is also one of the ways to innovate germplasm resources of Chinese medicines efficiently. The effect of the space group is expected to be enhanced than the ground group, but it needs to be proved through further research .
		2009 Vol. 29 (07): 1844-1846 [Abstract] ( 543 ) PDF (1155 KB) ( 481 )

	1847	Infrared Spectrum Analysis of Admixture Decoction of Herba Ephedrae with Ramulus Cinnarnomi
		LIN Wen-shuo^1,2, GUO Shao-zhong², HUANG Hao³, CHEN Rong^1*, FENG Shang-yuan¹, LI Yong-zeng¹, CHEN Wei-wei¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1847-04
		The infrared spectra of decoction of herba ephedra and ramulus cinnarnomi and the mixed decoction of herba ephedra + ramulus cinnarnomi were tested. The change in the mixed decoction was discussed to study the relationship between herba ephedra and ramulus cinnarnomi after decoction. The results showed that some components of herba ephedra and ramulus cinnarnomi were retained in the mixed decoction of herba ephedra+ramulus cinnarnomi, such as 1 205 and 1 074 cm^-1, but some components that never appeared in the two component spectra increased, such as 1 394 and 678 cm^-1. New absorption peaks were generated in the mixed decoction of herba ephedra + ramulus cinnarnomi，such as 757 and 407 cm^-1. It can be showed that there are differences in the chemistry environment of the various chemical groups in the three decoctions introduced above, and with the variation in absorption peak position, possibly some new chemical compositions were created. Medical ingredients in the decoction are not simply the addition of herba ephedra and ramulus cinnarnomi.based on the studies of infrared spectrum of the mixed decoction of herba ephedra + ramulus cinnarnomi, and the new notion of prescription spectroscopy was proposed.
		2009 Vol. 29 (07): 1847-1850 [Abstract] ( 1681 ) PDF (1280 KB) ( 676 )

	1851	Identification of Three-Step IR Spectra of Radix Puerariae from Different Habitats
		HAN Ming-xia^{1, 2},ZHOU Qun²,LI Quan-hong^1*,SUN Su-qin²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1851-05
		The IR spectra method and 2D-IR correlation spectra method were used for the identification of radix puerariae from Baxian mountain in Tianjin, Huping mountain in Hunan and Jinfo mountain in Chongqing. The results show that the IR spectra (the first identification) and the second derivative spectra (the sccond identification) of kudzu roots from different habitats have some similarity. Compared with the spectra of amylum and puerarin, three samples are all rich in amylum, and have some puerarin. The primary difference is the 62 wave numbers between the strongest peak of Tianjin kudzu at 1 048 cm^-1 and amylum at 986 cm^-1, showing that the content of amylum is lower. Radix puerariae from Tianjin has characteristic peaks consistent with those of puerarin at 891, 835 and 797 cm^-1, which means that radix puerariae from Tianjin has more puerarin. In the 2D-IR correlation spectra (the third identification), the three kinds of radix puerariae have the difference in position and the intensity of the correlation peak cluster. Therefore, the three-step IR macro-fingerprint provides a rapid and effective method for the identification of radix puerariae from the different habitats.
		2009 Vol. 29 (07): 1851-1855 [Abstract] ( 1297 ) PDF (2554 KB) ( 753 )

	1856	Application of NIR Spectroscopy Technology in the Field of Insect Pests Detection
		LIU Gui-xia, WANG Xin-pu, LI Xiu-min
		DOI: 10.3964/j.issn.1000-0593(2009)07-1856-04
		Near infrared spectroscopy (NIRS) is the most rapidly developing and the most noticeable spectrographic technique in the 80’s (the last century). Its principle in detection of insect pests was introduced. The applications of NIRS to the field of insect pests detection were mainly summarized. The applications of near-infrared reflectance spectroscopy (NIRS) in detection of insect pests in stored-products, seed and forage or in leaves of plants are more active due to its rapid, timely, less expensive, non-destructive, and straightforward analytic characteristics. The applications of NIRS to the field of detection of insect pests in our country are rare and only on the beginning. So, there are still some further applications of NIRS in detection of insect pests in future, such as analyzing trace elements in fruit and biosecurity inspection. In the present paper, the authors analyzed the NIRS applications status home and abroad, and discussed the applied prospects to promote its applications to the field of research and practice of detection of insect pests in our country.
		2009 Vol. 29 (07): 1856-1859 [Abstract] ( 1267 ) PDF (988 KB) ( 775 )

	1860	*Rapid and Undamaged Determination of C. deserticola* by Fourier-Transform Infrared Spectroscopy and Clustering Analysis**
		XU Rong¹, SUN Su-qin², LIU You-gang³, YU Jing¹, ZHOU Feng¹, LIU Tong-ning⁴, CHEN Jun^1*, CHEN Shi-lin¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1860-04
		Cistanche deserticola,an endemic species in China，has been one of the gradeⅡ national key conservation rare and endangered plants. The spectra of cultivated and wild C.deserticola samples were determined by Fourier transform infrared (FTIR) spectrometry. Based on the fingerprint infrared spectrum from 450 to 2 000 cm^-1, C. deserticola samples were rapidly classfied and closely studied by using the method of clustering analysis. Results showed that although there were tiny differences between the spectra of different origin, including the wild and cultivated C. deserticola samples, these samples could be successfully classified by soft independent modeling of class analogy (SIMCA). Recognition rate and rejection rate of different C. deserticola samples were up to 90%. When testing with the blind sample which the authors picked out from the chosen samples, the accuracy of clustering reaches up to 95％. On the whole, combined with clustering analysis, FTIR provides a effective way to evaluate the origin of the Chinese medicines rapidly and undamagedly.
		2009 Vol. 29 (07): 1860-1863 [Abstract] ( 263 ) PDF (1308 KB) ( 629 )

	1864	FTIR and XPS Spectroscopic Studies of Photodegradation of Moso Bamboo (Phyllostachys Pubescens Mazel)
		WANG Xiao-qing,REN Hai-qing^*,ZHAO Rong-jun,CHENG Qiang, CHEN Yong-ping
		DOI: 10.3964/j.issn.1000-0593(2009)07-1864-04
		The photodegradation process of bamboo involves very complex chemical reactions. In the present study, surface deterioration of Moso bamboo (Phyllostachys pubescens Mazel) was carried out by a xenon fade meter which can simulate sunlight irradiation, and Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopic (XPS) techniques were used to characterize the resulting changes in the chemical structure and composition of bamboo surface. XPS results showed that light irradiation resulted in significant increases in oxygen (O) content and O/C ratio. Besides, changes were also identified from the detailed C(1s) spectra, with a remarkable decrease in C1 component (C—C) and simultaneous increases in the components of C2(C—O), C3(CO) and C4(OCO), suggesting that the carbon atoms at bamboo surface were highly oxidized. FTIR results showed that lignin was susceptible to light irradiation and was significant degraded after treatment, as indicated by remarkable decreases in the intensity of lignin associated bands (e.g. 1 604, 1 512 and 1 462 cm^-1). This was accompanied by the formation of new carbonyl compounds as shown by an obvious increase in the intensity of non-conjugated carbonyl group at 1 735 cm^-1, which further indicated the photo-oxidation of bamboo surface. The polysaccharides (cellulose and hemicellulose) components, however, were less influenced by light irradiation, and their relative content at bamboo surface increased significantly due to lignin degradation.
		2009 Vol. 29 (07): 1864-1867 [Abstract] ( 1395 ) PDF (1329 KB) ( 884 )

	1868	Rapid Modeling Method for Spectroscopic Analysis of Chemical Components of Bamboo
		LI Gai-yun,HUANG An-min,QIN Te-fu^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1868-04
		A rapid modeling method for predicting the chemical components contents of bamboo was presented. The holocellulose contents and lignin contents of 54 samples from three growth years, two longitudinal positions and three radial positions were analyzed according to traditional chemical methods. Eleven samples were selected based on their holocellulose content and lignin content from these 54 samples to cover the range of holocellulose content and lignin content. Eleven samples were mixed at preset ratio with each other to give 21 mixed samples, the holocellulose content and lignin contents of which were computed. Another 22 samples with different chemical component contents were selected from the same 54 samples. The relationship between the chemical component contents and the diffuse reflectance NIR spectra of these samples was established using partial least squares regression. The correlation coefficient of prediction model for holocellulose content and lignin content was 0.92 and 0.93, respectively. The standard error of prediction for holocellulose content and lignin content was 1.04% and 0.91%, respectively. The prediction results were similar to those from the prediction models developed by traditional methods. The results presented in this study demonstrate that samples can be prepared rapidly by the mixture of samples with each other and their chemical component contents can be computed. The technique will significantly reduce sampling time and analyzing time without adversely affecting the quality of the model.
		2009 Vol. 29 (07): 1868-1871 [Abstract] ( 1787 ) PDF (1265 KB) ( 537 )

	1872	Analyzing NH₃ Volatilization of Different Fertilizers by FTIR Spectra Measurement
		TONG Jing-jing, WEI Xiu-li, LIU Zhi-ming, XU Liang, ZHANG Tian-shu, LIU Wen-qing, GAO Min-guang
		DOI: 10.3964/j.issn.1000-0593(2009)07-1872-04
		In the present paper, the authors used FTIR spectra measurement to analyze the volatilization of NH3 of different fertilizers. With the help of HITRAN database, using NLLS arithmetic, the authors retrieved the concentrations of NH₃. The authors compared the concentrations and simply analyzed the reason why the concentrations are different. This experiment indicated that the FTIR spectra measurement used to analyze the volatilization of NH₃ has many advantages, such as simple operation, high efficiency, measuring in real time and continuity, so this measurement can completely satisfy the demand of analysis in field.
		2009 Vol. 29 (07): 1872-1875 [Abstract] ( 1214 ) PDF (1378 KB) ( 561 )

	1876	Application and Recent Development of Research on Near-Infrared Spectroscopy for Meat Quality Evaluation
		XU Xia,CHENG Fang^*,YING Yi-bin
		DOI: 10.3964/j.issn.1000-0593(2009)07-1876-05
		As one of new optical detection methods, near-infrared spectroscopy (NIRS) technique has been widely used in food industry in recent years. NIRS technique is also promising for quality evaluation of meat and meat products and is characterized by its quickness, online operation and nondestructive detection. The present paper reviews the main application and recent development of research on near-infrared spectroscopy in meat industry, including components analysis, sensory quality evaluation as well as discrimination of production. It’s necessary to determine the content of main chemical components in a variety of meat such as protein, fat, water etc as they exert important influence on meat quality. Sensory quality including tenderness, water holding capacity, color, and freshness is commonly evaluated by human sensory system. Thus there is an obvious potential profit to achieve online determination industrialization for meat quality. Additionally the utilization of NIRS in quality detection of common meat products is particularized in this paper. Most study of near-infrared spectroscopy technique for meat quality evaluation lays emphasis on component analysis that especially has shown a progress in the determination of protein, fat, water and part of fatty acid, which has been investigated much recently. Not any kind of sensory quality can be well predicted by NIRS as it depends on the species of meat and the limitation of this optical technique. Therein beef is the mostly used object with many reports on the evaluation of tenderness compared to other types. There is a lot of investigation for sensory quality detection of pork on water holding capacity etc. Meanwhile this review also tries to come up with some perspectives on meat quality detection with near-infrared spectroscopy according to current development trend: on the basis of deeply improving the meat detection precision, near-infrared spectroscopy technique combined with other non-detection techniques like machine vision will be investigated in order to realize overall evaluation of meat quality.
		2009 Vol. 29 (07): 1876-1880 [Abstract] ( 981 ) PDF (1072 KB) ( 691 )

	1881	Laser Tweezers Raman Spectroscopy Analysis of Liver Cancer Tissue
		WANG Yan-jun¹, YAO Hui-lu², WANG Gui-wen², WANG Yun¹, FENG Mei-fu^1*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1881-03
		Single cell laser tweezers Raman spectroscopy (LTRS) has been applied to biology field. In the present article, the authors measured the spectra of liver cancer cells, para-cancer cells and normal hepatocytes using single cell laser tweezer Raman spectroscopy (LTRS) system and compared their average spectra changes. The results showed that the laser tweezers Raman spectroscopy could differentiate specimens of different pathological changes from liver tissue studied. The 1 070 and 1 266 cm^-1 peaks obtained from normal hepatocytes were more visible than the same two peaks obtained from liver cancer and para-cancer specimen. The 1 445 cm^-1 peak of normal hepatocytes was higher than that of liver cancer cells and para-cancer cells. It is known that the 1 070 cm-1 peak represents lipids and nucleic acids, while 1 266 and 1 445 cm^-1 peaks represent lipids and proteins. So, these peak changes may directly reflect the changed biomaterials related to liver carcinogenesis. Thus, single cell laser tweezer Raman spectroscopy may be a nondestructive, rapid and good method to measure and analyze different pathological specimens from liver cancer.
		2009 Vol. 29 (07): 1881-1883 [Abstract] ( 1930 ) PDF (1677 KB) ( 536 )

	1884	Hyperfine Structure Study of Binary Sodium Phosphates by Raman Spectroscopy
		ZHAO Si-jie,YOU Jing-lin^*,CHEN Hui,JIANG Guo-chang
		DOI: 10.3964/j.issn.1000-0593(2009)07-1884-05
		Quantum chemistry ab initio calculation was applied to study the hyperfine structure of binary sodium phosphates. A series of phosphate model clusters were designed to simulate the microstructure of phosphates with different components. Closed-shell Hatree-Fock method (RHF) and the basis sets of 6-31G (d, p) were employed to optimize structures and calculate Raman frequencies of these phosphate model clusters. SIT (stress index of tetrahedron), which was well used in the study of silicate microstructures, had been adjusted before it was introduced to describe the microstructure of binary sodium phosphates. It was suggested that SIT of phosphates has good relationship with the Raman shift of the corresponding structures, which means SIT could also be used to study the hyperfine structure of binary sodium phosphates. Raman spectra of both solid and molten Na₅P₃O₁₀ were determined in the range of room temperature to 1 473 K. A phase transition between 873 and 1 073 K was observed, and the main peaks of Na₅P₃O₁₀ shifted to a lower frequency with increasing temperature. The microstructure units of Na₅P₃O₁₀ crystal are the types of Q²₁ and Q¹¹₂ with a ratio of 2∶1. With the increase in the temperature, various new microstructure units including Q₀, Q¹₁, Q²₁, Q¹¹₂, Q¹²₂ and Q²²₂ appeared while Na₅P₃O₁₀ was heated above the melting point, which led to the broadening and asymmetry of Raman spectra of molten Na₅P₃O₁₀. It came to an understanding that the microstructure units of phosphates may change at different temperature, especially above the melting points. The introduction of SIT and hyperfine structure could help analyze the Raman spectra of phosphates both qualitatively and quantitatively.
		2009 Vol. 29 (07): 1884-1888 [Abstract] ( 729 ) PDF (1941 KB) ( 642 )

	1889	The Study on Linear Relationship between Concentration and Surface-Enhanced Raman Spectroscopy (SERS) Signal of Thymine in Improved Ag Sol
		ZHANG Lei¹,ZHANG Yu-lan¹,ZHANG Wei¹,WANG Wen-ming¹, DU Yi-ping^1*, Yukihiro Ozaki²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1889-03
		The authors used polymer as a stable medium to protect Ag sol to get a stable signal for the unstable Ag sol. Polyacrylic acid sodium was selected as the stable medium, which had a little effect on the SERS of thymine and made the SERS signal stable for thirty days. After aborative consideration and some trials, pyridine was picked as an internal standard for the quantitative detection of thymine. A linear correlation between the concentration of thymine and the ratio of thymine signal to pyridine signal intensity was obtained over a range of 2×10^-4-1×10^-3 mol·L^-1 with a correlation coefficient R² of 0.975 4. The regression equation is: y=3.143x+0.348 7. The proposed method has the potential for quantitative analysis of the trace compounds having SERS effects.
		2009 Vol. 29 (07): 1889-1891 [Abstract] ( 1743 ) PDF (1380 KB) ( 567 )

	1892	Restraining Pyridine from Laser Carbonization by SnCl₂ in the SERS Measurements
		CHU You-ping¹, CHEN Shu², ZHENG Ju-fang¹, LI Ze-lin^2*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1892-04
		Laser carbonization is an inherent problem frequently encountered in the measurements of surface-enhanced Raman scattering (SERS), especially for the reactive molecules. Pyridine (Py) is one of such examples though it is a common molecule as probe in the SERS studies. The introduction of SnCl₂, which has few Raman peaks at low frequency, effectively restrains the pyridine from carbonization. The findings here provide a new convenient chemical way to improve the routine SERS analysis of reactive organic/bio-molecules instead of physical ones reported in the literature like vacuum, inert atmosphere, low temperature, low laser power, and so on. It is expected that this method is also applicable in the SERS study of other vulnerable organic/bio-molecules.
		2009 Vol. 29 (07): 1892-1895 [Abstract] ( 1184 ) PDF (1332 KB) ( 559 )

	1896	Raman Spectra Study on Radiation Damage in EC9706 Cells by ⁶⁰Coγ-Rays
		QI Jian,GUO Zheng-yuan,ZHANG Guang-shui,WU Dian-yong,TANG Wei-yue^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1896-05
		Raman spectrum was used to study the structure and content of protein，nucleic acid and fat, while EC9706 cells irradiated by ⁶⁰Co γ-ray were cultivated for 24 h. The results showed that for spectrum intensity and frequency deviation, there were big differences between each exposure group and control group. For the 1 244 cm^-1 peak of amide Ⅲ, β folder changed to disordered conformations in the middle dose (4, 5Gy) groups. The 1 341 cm^-1 peak of ν (the indole ring of Trp) was red-shifted in every dose group. There was a 2-3 cm^-1 red shift at the 782 cm^-1 peak in the big dose groups (7, 8Gy). It was showed that the non-hydrogenation of ν_s (PO^-₂) was strengthened due to big dose γ-rays radiation. There was a 4 cm^-1 blue shift at the 1 446 cm^-1 peak of δ (CH₂, CH₃). It maybe resulted from ⁶⁰Co γ-rays’ damage to the film of EC9706 cells. The preferable dose of ⁶⁰Co γ-rays may be found by analyzing the variety of the above-mentioned peaks in some dose groups.
		2009 Vol. 29 (07): 1896-1900 [Abstract] ( 1889 ) PDF (1677 KB) ( 584 )

	1901	Measurement of Atmosphere NO₂ Amounts and Angle Spacial Distribution Using Zenith-Light Spectra and Sky-Light Spectra
		ZHAO Xiao-yan, YANG Jing-guo, GONG Min^*, HE Jie, CAO Ting-ting, LIANG Hui-min, SUN Peng
		DOI: 10.3964/j.issn.1000-0593(2009)07-1901-05
		A novel approach to retrieving atmosphere NO₂ slant column density is described, in which the sunlight scattered in the zenith direction and the skylight are used as the light sources. The slant column density of the same azimuth but different obliquities，which are between 0.5×10¹⁶ and 11×10¹⁶ molecule·cm^-2,with the angle from 85° to 10°，as well as that of the same obliquity but different azimuths，which are between 10¹⁶ and 10¹⁷ molecule·cm^-2,were calculated. The study indicates that the results have good correlation with real atmosphere status. The angle spatial distribution could be embodied by the difference of NO₂ slant column density in different azimuths and obliquities. The reference spectrum and sample spectrum were collected with the same instrument at the same time，so the measurement accuracy has been improved. This method favored not only real-time monitoring NO₂ content of space arbitrary direction，especially near the ground NO₂ pollution emergencies，but also overcast and rainy areas where it is very difficult to collect good direct solar spectrum.
		2009 Vol. 29 (07): 1901-1905 [Abstract] ( 1258 ) PDF (1582 KB) ( 722 )

	1906	SVM-Based Spectral Recognition of Corn and Weeds at Seedling Stage in Fields
		DENG Wei¹, ZHANG Lu-da¹, HE Xiong-kui^1*, Mueller J², ZENG Ai-jun¹, SONG Jian-li¹, LIU Ya-jia¹, ZHOU Ji-zhong¹, CHEN Ji¹, WANG Xu¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1906-05
		A handheld FieldSpec^® 3 Spectroradiometer manufactured by ASD Incorporated Company in USA was used to measure the spectroscopic data of canopies of seedling corns, Dchinochloa crasgalli, and Echinochloa crusgalli weeds within the 350-2 500 nm wavelength range in the field. Each canopy was measured five times continuously. The five original spectroscopic data were averaged over the whole wavelength range in order to eliminate random noise. Then the averaged original data were converted into reflectance data, and the unsmooth parts of reflectance spectral curves with large noise were removed. The effective wavelength range for spectral data process was selected as 350-1 300 and 1 400-1 800 nm. Support vector machine (SVM) was chosen as a method of pattern recognition in this paper. SVM has the advantages of solving the problem of small sample size, being able to reach a global optimization, minimization of structure risk, and having higher generalization capability. Two classes of classifier SVM models were built up respectively using “linear”, “polynomial”, “RBF”(radial basis function), and “mlp (multilayer perception)” kernels. Comparison of different kernel functions for SVM shows that higher precision can be obtained by using “polynomial” kernel function with 3 orders. The accuracy can be above 80%, but the SV ratio is relatively low. On the basis of two-class classification model, taking use of voting procedure, a model based on one-against-one-algorithm multi-class classification SVM was set up. The accuracy reaches 80%. Although the recognition accuracy of the model based on SVM algorithm is not above 90%, the authors still think that the research on weeds recognition using spectrum technology combining SVM method discussed in this paper is tremendously significant. Because the data used in this study were measured over plant canopies outdoor in the field, the measurement is affected by illumination intensity, soil background, atmosphere temperature and instrument accuracy. This method proposes a kind of research ideology and application foundation for weeds recognition in the field.
		2009 Vol. 29 (07): 1906-1910 [Abstract] ( 563 ) PDF (1334 KB) ( 589 )

	1911	Study on the Interaction between Daidzein and Human Serum Albumin
		WU Qiu-hua, WANG Dong-yue, ZHOU Xin, ZHANG Zhi-heng, LIU Wei-hua, WANG Zhi^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1911-04
		The binding reaction between daidzein and human serum albumin (HAS) was studied by fluorescence quenching spectra, synchronous fluorescence spectra and ultraviolet spectra. The results indicated that daidzein led to the quenching of the intrinsic fluorescence of HSA. The fluorescence quenching mechanism between daidzein and HSA was mainly static quenching, with non-radiation energy transfer occurring within single molecule. The binding constants (K_A) between daidzein and HSA were 0.34×10⁴ (23 ℃), 1.10×10⁴ (30 ℃) and 4.36×10⁴ (40 ℃), respectively. According to the Förster theory of non-radiation energy transfer, the binding distances (r) were 1.50 nm (23 ℃), 1.46 nm (30 ℃) and 1.42 nm (40 ℃), respectively. The thermodynamic parameters were calculated, which indicated that the hydrophobic force played major roles between daidzein and human serum albumin. The effect of daidzein on the conformation of HAS was investigated using synchronous spectrum.
		2009 Vol. 29 (07): 1911-1914 [Abstract] ( 1232 ) PDF (1461 KB) ( 577 )

	1915	Spectroscopic Study on Binding of Folic Acid to Human Serum Albumin
		LIU Hui-juan, LI Peng, ZHANG Ya-dong, GUO Cao, DENG Jun-yuan, CAI Jian-wei, LIU Bo-li^*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1915-05
		The interaction of human serum albumin and folic acid was studied using fluorescence spectroscopy, UV absorption and synchronous fluorescence spectroscopy in the pH 7.4 Tris-HCl buffer system at different temperatures. The research shows that these interactions result in the endogenous fluorescence quenching of HSA, which belongs to a static quenching mechanism. The quenching rate constants, the binding constants and the binding sites of the static quenching were calculated. The distance between the body (HSA) and receptor (folic acid) and the efficiency of energy transfer were obtained to be 1.77 nm and 0.052 65 respectively, based on the theory of Förster nonradiative energy transfer. And according to the thermodynamic parameters calculated the binding of HSA and folic acid is mainly attributed to the hydrophobic interaction, partly static force. Further more the synchronous fluorescence spectrum was utilized to investigate the conformational transformation; The decline result of the hydrophobic nature around Trp demonstrates that the folic acid is in the hydrophobic cavity of HSA.
		2009 Vol. 29 (07): 1915-1919 [Abstract] ( 627 ) PDF (1624 KB) ( 870 )

	1920	Fluorescence Used to Investigate the Sensitivity of Spinach Chloroplast Membrane to Low Intensity Electromagnetic Radiation
		XI Gang¹, YANG Yun-jing²,LU Hong³
		DOI: 10.3964/j.issn.1000-0593(2009)07-1920-05
		A system for studying biological effect of radio frequency electromagnetic field was developed. The system can form an area where electromagnetic wave with large frequency range is well distributed. The strength of electromagnetic wave was measured easily. Electromagnetic wave in the system did not have effect on environment. The sensitivity of spinach chloroplast membrane to low intensity electromagnetic radiation of 300 MHz under power density of 5 mW·cm^-2 was studied by the spectral analysis method of fluorescence of 8-anilino-1-naphthalene-sulfonic acid (ANS) and the changes in chlorophyll a (Chla) fluorescence parameters of spinach chloroplast membrane. The result showed that the position of spectrum of ANS fluorescence of spinach chloroplast membrane did not change, but the intensity of ANS fluorescence was obviously increased under the action of electromagnetic radiation with power density of 1-5 mW·cm^-2. There was an increase in the intensity of ANS fluorescence with the increase in electromagnetic radiation. The increase of ANS fluorescence of spinach chloroplast membrane showed that low level electromagnetic field induced the decrease in fluidity of chloroplast membrane compared with control experiment. The cause of the change in the fluidity could be related to the polarization of chloroplast membrane under the electromagnetic field. The analysis of Chla fluorescence parameters of spinach chloroplast membrane indicated that low level electromagnetic field of 300 MHz made the fluorescence parameters F₀ and F_VI／F_V decrease, and F_V／F₀, F_V／F_m and ΔF_V／T increase. It was showed that low level electromagnetic field caused the change of non-active center of photosystem Ⅱ of spinach chloroplast membrane to active center and the increase in potential active and photochemical efficiency of PSⅡ, and promoted the transmit process of electron in photosynthesis of chloroplast membrane of photosynthesis cell in spinach leaf. The study confirmed that low level electromagnetic field has non-thermal effects on photosynthesis system of spinach chloroplast membrane. The cell in spinach leaf can keep the photosynthesis through the change in heterogeneity of photosystem Ⅱ and adapt to the environment of electromagnetic radiation increase.
		2009 Vol. 29 (07): 1920-1924 [Abstract] ( 1925 ) PDF (1395 KB) ( 412 )

	1925	Extraction of Characteristic Parameters of Three-Dimensional Fluorescence Spectra of Tyrosine and Tryptophan
		LI Zhen, SHANG Li-ping^*, DENG Hu, ZHI Tong-xing
		DOI: 10.3964/j.issn.1000-0593(2009)07-1925-04
		In the present paper, three-dimensional fluorescence spectra of tyrosine and tryptophan were detected through Pekin-Elmer LS55 fluorescence spectrometer made in U.S.A, with the excitation wavelength in the range of 230-320 nm, interval of 5 nm, emission wavelength in the range of 230-500 nm, and interval of 2 nm. Three-dimensional fluorogram was obtained using excitation wavelength, emission wavelength and fluorescence intensity detected by Pekin-Elmer LS55 as three-dimensional system of coordinate. It can be seen that the main peak of the three-dimensional fluorescence spectra of tyrosine and tryptophan was aliasing evidently, so it was impossible to distinguish these two overlapping components using excitation wavelength, emission wavelength and fluorescence intensity easily. Therefore, to distinguish spectra of tyrosine and tryptophan obviously, characteristic parameter was extracted based on the principle of mathematical statistics and the most relevant information of the fluorescence spectra of tyrosine and tryptophan was obtained. The results showed that the difference value percentage of the “mean”, “deviation”, “origin pitch” and “mixed center pitch” of the three-dimensional spectra’s characteristic parameter was 330.37%, 102.86%, 329.16% and 329.63%, respectively; meanwhile, the difference value percentage of “distribution” and “correlation” was 10.61% and 2.40% respectively. Thus, it was obvious that the “mean”, “deviation”, “origin pitch” and “mixed center pitch” of the three-dimensional spectra’s characteristic parameter can be used to distinguish overlap spectra of tyrosine and tryptophan as sensitive characteristic parameters. The principle and results of this method are applicable and valid. This “math pre-extracted” three-dimensional spectrometry found sensitive parameter among the components by the parameter extracting and can replace traditional excitation-emission-intensity three-dimensional fluorescence analysis，then can be generalized to the identification of multi-components.
		2009 Vol. 29 (07): 1925-1928 [Abstract] ( 1919 ) PDF (1274 KB) ( 1211 )

	1929	Synthesis, Characterization and Fluorescence Properties of Rare Earth Complexes RE(TPTZ)Cl₃
		ZHAO Yan-fang^{1, 2}, ZHAO Yong-liang^1*, BAI Feng¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1929-04
		The reaction of 2,4,6-tri(2-pyridyl)-1,3,5-triazine (TPTZ) with RECl₃ in ethanol solution was studied. Seven solid coordination compounds of rare earth were synthesized. Their elemental analysis, rare earth complexometric titration, molar conduction, TG-DTA curve, IR spectra and UV spectra were studied. The results suggest that the composition of the complexes was RE(TPTZ)Cl₃·3H₂O(RE=Sm, Eu, Tb, Dy) and Tb_0.5Ln_0.5(TPTZ)Cl₃·3H₂O(Ln=Gd, Y, La), where TPTZ acts as a tridentate ligand with rare earth ion, the rare earth ion is eight-coordinate being bonded to the tridentate TPTZ, two Cl^- anions and three water molecules, and the complexes-bounded may be [RE(TPTZ)(H₂O)₃Cl₂] ·Cl and [(Tb_0.5Ln_0.5)(TPTZ)(H₂O)₃Cl2] ·Cl. They are all 1∶1 electrolytes in the DMF. The fluorescence spectra of the complexes were determined at room temperature. The results show that the fluorescence intensity of Tb³⁺ complex is the strongest among the four (Eu3+, Sm³⁺, Tb³⁺ and Dy³⁺) complexes. The lowest excitation state energy level of Tb³⁺ ion and the triplet state energy level of the ligand (TPTZ) match well. The absorbing energy of the ligand is effectively transferred to Tb³⁺ ion. The fluorescence intensity of terbium doped complexes (Tb³⁺ mixed by Gd³⁺, Y³⁺ and La³⁺) is stronger than that of terbium complex, showing that the fluorescence intensity of Tb³⁺ ion is raised by Gd³⁺, Y³⁺ and La³⁺ ions.
		2009 Vol. 29 (07): 1929-1932 [Abstract] ( 1851 ) PDF (1245 KB) ( 479 )

	1933	Absorption Spectra Analysis in the Degradation Process of Quinoline in Aqueous Solution by VUV Lights
		ZHU Da-zhang¹, SUN Dong-mei², WANG Shi-long^2*, SUN Xiao-yu², NI Ya-ming¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1933-04
		The feasibility of monitoring the degradation progress on line by UV-Vis absorption spectra in the degradation process of quinoline in aqueous solution using the low-pressure quartz mercury lamp as vacuum ultraviolet source was evaluated by the monitoring and protracting of the UV-Vis absorption spectra at different time. The characteristic and mechanism of the change in the UV absorption spectra were analyzed by monitoring the concentration of the substrate，COD (chemical oxygen demand), TOC (total organic carbon) and pH value of the solution. It was showed that quinoline occurs in different forms under different pH conditions and consequently causes different UV-Vis absorption spectra due to the N atom in the pyridine ring. In the degradation progress, the UV-Vis absorption spectra were impacted by the degradation rate of the substrates, the production rate of the intermediates and the pH value of the solution. Proton acids were produced as intermediates and make quinoline occur in the form of its conjugated acid. When the increase in the absorption produced by the protonation was equal to the decrease induced by the degradation, the curve of the absorption at 313 nm, the characteristic absorption peak of quinoline, showed a flat in the duration of 1-3 min and then decayed continuously. In addition, the absorption at 254 nm reached a maximum at 5 min and then decayed continuously to nearly 0 at 30 min, when the absorption of the system only occurred in the region of wavelength shorter than 220 nm, indicating that the substrate was degraded completely. The research revealed that UV absorption spectra could be used to monitor the degradation process of quinoline in aqueous solution by VUV lights.
		2009 Vol. 29 (07): 1933-1936 [Abstract] ( 929 ) PDF (1423 KB) ( 649 )

	1937	Research on Identification of Species of Fruit Trees by Spectral Analysis
		XING Dong-xing^{1, 2}, CHANG Qing-rui^1*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1937-04
		Using the spectral reflectance data (R_λ) of canopies, the present paper identifies seven species of fruit trees bearing fruit in the fruit mature period. Firstly, it compares the fruit tree species identification capability of six kinds of satellite sensors and four kinds of vegetation index through re-sampling the spectral data with six kinds of pre-defined filter function and the related data processing of calculating vegetation indexes. Then, it structures a BP neural network model for identifying seven species of fruit trees on the basis of choosing the best transformation of R_λ and optimizing the model parameters. The main conclusions are: (1) the order of the identification capability of the six kinds of satellite sensors from strong to weak is: MODIS, ASTER, ETM+, HRG, QUICKBIRD and IKONOS; (2) among the four kinds of vegetation indexes, the identification capability of RVI is the most powerful, the next is NDVI, while the identification capability of SAVI or DVI is relatively weak; (3) The identification capability of RVI and NDVI calculated with the reflectance of near-infrared and red channels of ETM+ or MODIS sensor is relatively powerful; (4) Among R_λ and its 22 kinds of transformation data, d¹[log(1/R_λ)] (derivative gap is set 9 nm) is the best transformation for structuring BP neural network model; (5) The paper structures a 3-layer BP neural network model for identifying seven species of fruit trees using the best transformation of R_λ which is d¹[log(1/R_λ)] (derivative gap is set 9 nm).
		2009 Vol. 29 (07): 1937-1940 [Abstract] ( 2834 ) PDF (1346 KB) ( 660 )

	1941	Wavelet Analysis and Its Application in Denoising the Spectrum of Hyperspectral Image
		ZHOU Dan¹,WANG Qin-jun¹,TIAN Qing-jiu²,LIN Qi-zhong¹, FU Wen-xue¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1941-05
		In order to remove the sawtoothed noise in the spectrum of hyperspectral remote sensing and improve the accuracy of information extraction using spectrum in the present research, the spectrum of vegetation in the USGS (United States Geological Survey) spectrum library was used to simulate the performance of wavelet denoising. These spectra were measured by a custom-modified and computer-controlled Beckman spectrometer at the USGS Denver Spectroscopy Lab. The wavelength accuracy is about 5 nm in the NIR and 2 nm in the visible. In the experiment, noise with signal to noise ratio (SNR) 30 was first added to the spectrum, and then removed by the wavelet denoising approach. For the purpose of finding the optimal parameters combinations, the SNR, mean squared error (MSE), spectral angle (SA) and integrated evaluation coefficient η were used to evaluate the approach’s denoising effects. Denoising effect is directly proportional to SNR, and inversely proportional to MSE, SA and the integrated evaluation coefficient η. Denoising results show that the sawtoothed noise in noisy spectrum was basically eliminated, and the denoised spectrum basically coincides with the original spectrum, maintaining a good spectral characteristic of the curve. Evaluation results show that the optimal denoising can be achieved by firstly decomposing the noisy spectrum into 3-7 levels using db12, db10, sym9 and sym6 wavelets, then processing the wavelet transform coefficients by soft-threshold functions, and finally estimating the thresholds by heursure threshold selection rule and rescaling using a single estimation of level noise based on first-level coefficients. However, this approach depends on the noise level, which means that for different noise level the optimal parameters combination is also diverse.
		2009 Vol. 29 (07): 1941-1945 [Abstract] ( 1654 ) PDF (1282 KB) ( 1077 )

	1946	The Self Intensification of the Pure Spectrum in the Mixed Spectrum
		WANG Zhi-ping,TANG Yan-lin^*,ZHANG Fu-rong,LIU Yun
		DOI: 10.3964/j.issn.1000-0593(2009)07-1946-04
		In the present paper, the influence of the pure spectrum contained in the mixed spectrum was centralized at the origin, and in this way, the influence of the pure spectrum in the result curve reached the maximum value. This process is called the self intensification of the pure spectrum. Farther, considering that the center of the Gaussian function contained in the impure spectrum is much different from that of the pure spectrum, it can be accepted that the influence of the impure spectrum at the origin is approximately the minimum. So the origin was chosen as the analysis point when the authors perform the quantitative analysis according to the spectrum. Therefore we can reduce the subjectivity in choosing the analysis point. In addition, the wavelet coefficients of the result curve at the origin were used for the quantitative analysis. According to the simulated experiment, it was found that the final result is independent of the Gaussian white noise contained in the actual spectrum. Finally, the analytic result of the new method was compared with that of the method reported in the literature, which proved that the new method is much better in terms of the analytic error.
		2009 Vol. 29 (07): 1946-1949 [Abstract] ( 1586 ) PDF (3537 KB) ( 695 )

	1950	An Algorithm for Highlightling Structure in Multispectral Remote Sensing
		WANG Qin-jun¹, LIN Qi-zhong¹, LI Ming-xiao², WEI Yong-ming³, WANG Li-ming¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1950-04
		Based on the principle of mineral generation, structures could provide not only passage ways for ore-forming fluid, but also space for them to aggregate. So, it was very important to study the feature of structures in study area before mineral exploration. In order to highlight structures using multispectral remote sensing data, an algorithm integrating principle component analysis (PCA), maximum noise fraction transformation (MNF) and original image data was proposed here. In the algorithm, the original image was firstly transformed by PCA and MNF; then all bands were normalized to reduce errors caused by different band dimensions, and three bands containing detailed structure information were selected to form the false color image in which structures in study area were highlighted. Results of transformation on enhanced thematic mapper (ETM) data acquired on June 27th 2000 in Hatu area, Xinjiang province, China showed that (1) the transformed image was not only more colorful than the original data, but also more gradational than the original data. (2) The color difference among objects was enhanced by the algorithm. (3) Structrues were highlighted by the algorithm. Therefore, the algorithm’s effect of highlighting structures in study area was noticeable.
		2009 Vol. 29 (07): 1950-1953 [Abstract] ( 261 ) PDF (1498 KB) ( 588 )

	1954	Hyperspectral Imagery Denoising Method Based on Wavelets
		SUN Lei, GU De-feng, LUO Jian-shu
		DOI: 10.3964/j.issn.1000-0593(2009)07-1954-04
		To take advantage of the intrinsic characteristic of hyperspectral imageries, a hyperspectral imagery denoising method based on wavelet transform is proposed in the present paper. At first, two dimensional wavelet transform is performed on hyperspectral images band by band to capture their profiles. Due to the significant spectral correlation between adjacent bands, their high frequency wavelet coefficients are similar as well. Then, according to the wavelength relationship among the bands, which contain noise with different variances, new high frequency wavelet coefficients of seriously noisy bands are computed by the sum of weighted high frequency wavelet coefficients of bands, which contain low variance noise, and their profiles destroyed by noise are recovered in this way. Finally, the denoised images are reconstructed through inverse wavelet transform. The proposed method runs fast and can remove the noise efficiently. It was tested on airborne visible/infrared imaging spectrometer data (AVIRIS) cubes. Experimental results show that the signal-to-noise-ratio (SNR) of the reconstructed images in our method is 3.8-10.6 db higher than the that of the reconstructed images in the classical image denoising method, BayesShrink, and our method saves more than 50% computing time than BayesShrink method.
		2009 Vol. 29 (07): 1954-1957 [Abstract] ( 1396 ) PDF (1983 KB) ( 706 )

	1958	Study on Interaction between Heme-Iron of Myoglobin and Metal Ions by Visible Spectroscopy(Ⅰ)
		TANG Qian^{1, 2},ZHENG Xue-fang^1*, WANG Jing-yun³, LIU Yuan-yuan^{1, 2}, YUAN Yu-lian²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1958-04
		Myoglobin (Mb) made up of a multipeptides train and a heme prosthetic group is a kind of protein taking charge of O₂ stock and distribution in mammal cells, especially in muscle cells. The heme-iron plays a key role in O₂ transfer and transport. In the present paper, the direct interaction between heme-iron of myoglobin and additional metal ions [Cu(Ⅱ), Zn(Ⅱ) and Co(Ⅱ)] was studied by UV-Vis spectra. It was found that heme-iron of myoglobin directly interacted with additional Cu(Ⅱ), Zn(Ⅱ) and Co(Ⅱ), these metal ions could drag iron ion out from heme prosthetic group of myoglobin, and subsequently myoglobin became myoglobin derivatives lacking iron ion. At the same time, the effect of the additional metal ions concentration on the direction interaction was studied. It was shown that the direct interaction increased gradually with the amount of external metal ions added. When the ratio of Mb and metal ions is 1∶10, the interaction intension between the three metal ions and Mb is Co(Ⅱ), Zn(Ⅱ) and Cu(Ⅱ) in turn. For the first time, the authors confirmed that the direct interaction has occurred between heme-iron of myoglobin and additional metal ions, and saw about how the metal ions intension affects the direct interaction.
		2009 Vol. 29 (07): 1958-1961 [Abstract] ( 1701 ) PDF (1439 KB) ( 649 )

	1962	A New Class of Exciplex-Formed Probe Detect of Specific Sequence DNA
		LI Qing-yong, ZU Yuan-gang, Lü Hong-yan, WANG Li-min
		DOI: 10.3964/j.issn.1000-0593(2009)07-1962-05
		The present research was to develop the exciplex-based fluorescence detection of DNA. A SNP-containing region of cytochrome P450 2C9 DNA systems was evaluated to define some of the structural and associated requirement of this new class of exciplex-formed probe, and a 24-base target was selected which contains single-nucleotide polymorphisms (SNP) in genes coding for cytochrome P450. The two probes were all 12-base to give coverage of a 24-base target region to ensure specificity within the human genome. Exciplex partners used in this study were prepared using analogous phosphoramide attachment to the 3’- or 5’-phosphate group of the appropriate oligonucleotide probes. The target effectively assembled its own detector by hybridization from components which were non-fluorescent at the detection wavelength, leading to the huge improvement in terms of decreased background. This research provides details of the effects of different partner, position of partners and different excitation wavelengths for the split-oligonucleotide probe system for exciplex-based fluorescence detection of DNA. This study demonstrates that the emission intensity of the excimer formed by new pyrene derivative is the highest in these excimer and exciplex, and the excimer is easy to be formed and not sensitive to the position of partners. However the exciplex formed by the new pyrene derivative and naphthalene emitted strongly at ～505 nm with large Stokes shifts (120-130 nm), and the monomer emission at 390 and 410 nm is nearly zero. Excitation wavelength of 400 nm is the best for I_e505/I_m410 (exciplex emission at 505 nm/monomer emission at 410 nm) of the exciplex. This method features lower background and high sensitivity. Moreover the exciplex is sensitive to the steric factor, different position of partners and microenvironment, so this exciplex system is promising and could be tried to identify the SNP genes.
		2009 Vol. 29 (07): 1962-1966 [Abstract] ( 2200 ) PDF (1648 KB) ( 431 )

	1967	Transport Kinetics of Pb(Ⅱ) Through Bulk Liquid Membrane Using PC-88A as Carrier
		YU Xiao-jiao¹,YAO Bing-hua¹,ZHOU Xiao-de²,ZHENG Huai-li³,ZHANG Jian-feng²
		DOI: 10.3964/j.issn.1000-0593(2009)07-1967-05
		The effects of stirring speed, carrier concentration and reaction temperature on the transport of Pb(Ⅱ) ion through bulk liquid membrane were studied with chloroform as membrane solvent and 2-ethylhexyl phosphonic acid-mono-2-ethylhexylester as carrier. The Pb(Ⅱ) ions concentrations of feed phase and stripping phase were assayed by atomic absorption spectroscopy. The kinetic parameters, including apparent rate constants of Pb(Ⅱ) ion extraction and re-extraction reactions, the maximum concentration of Pb(Ⅱ) ion in the liquid membrane, the time of the maximum value of maximum concentration of Pb(Ⅱ) ion in the liquid membrane and the maximum entry and exit fluxes of Pb(Ⅱ) ion through the liquid membrane of the extraction and stripping reactions, were evaluated. The apparent activation energy value is 31.65 kJ·mol^-1 for extraction and 23.11 kJ·mol^-1 for stripping. The results indicate that good agreement between experimental data and theoretical predictions could be achieved and the kinetics of Pb(Ⅱ) transport could be evaluated by two consecutive irreversible pseudo-first order reactions. In this condition the chemical reaction is a procedure of controlled reaction rates.
		2009 Vol. 29 (07): 1967-1971 [Abstract] ( 1257 ) PDF (1373 KB) ( 438 )

	1972	Contrast Study on Natural Radioactive Nuclides Contents of Rice between Xiangshan Uranium Deposit Area, Jiangxi and Non-Uranium Depsoit Area
		LIU Ping-hui^{1, 2},YE Chang-sheng^1，2,XIE Shu-rong^1，2,RUI Yu-kui^3*
		DOI: 10.3964/j.issn.1000-0593(2009)07-1972-04
		The contents of natural radioactive nuclides such as uranium and thorium in paddies were analyzed and compared by means of ICP-MS. Totally 14 paddy samples were distinguished into two groups and collected from two rice planting area. One group (12 paddy samples) was collected from the Xiangshan uranium deposit area, Jiangxi province; while the other group (2 samples) collected from non-uranium deposit suburban area of Fuzhou city, Jiangxi, as comparison samples. The distance between the two sampling areas is about 80 kilometers. Before analysis, those paddy samples were continuously carbonized by two hours first, then continuously incinerated for 8 hours at the temperature of 600 degrees centigrade. The results show that the uranium contents in the paddy ash of samples gotten from Xiangshan uranium deposit area range from 0.053 to 1.482 μg·g^-1. The uranium contents of two comparison paddy samples ash are 0.059 and 0.061 μg·g^-1,respectiovely. The average uranium content of paddy ash of uranium deposit area is 0.323 μg·g^-1. Compared with the comparison samples, the uranium contents of paddy ash of uranium deposit area are considerably high, 5.30 times that of non-uranium deposit area. The thorium contents in paddy ash of the uranium deposit area, however, are relatively low and less than that of samples collected from non-uranium deposit area, which range from 0.029 to 0.311 μg·g^-1; The average level is 0.104 μg·g^-1, only about 50% of that of paddy ash sampled from non-urnaium deposit area. Moreover, there is significant linearity correlation between uranium and thorium contents of paddy sampled from Xiangshan uranium deposit area. The positive effects show that the thorium contents of paddy increase as uranium contents of paddy in uranium deposit area increase. The causes for the remarkable difference in uranium contents in paddy between urianium deposit area and non-uranium deposit area are not clear yet. The research on this topic, however, is very important and significant to the regional rice quality and food security.
		2009 Vol. 29 (07): 1972-1975 [Abstract] ( 693 ) PDF (1106 KB) ( 628 )

	1976	Content Determination of Different Species of Pb, As, and Cd in the Municipal Sewage Sludge of Beijing with ICP-MS
		CHEN Si-yang, WANG Juan, LI Li-na, HAN We-xuan^*, JIANG Rong-feng
		DOI: 10.3964/j.issn.1000-0593(2009)07-1976-03
		Heavy metals in municipal sewage sludge can limit the utilization of sludge resources, due to their recalcitrant characteristics and harmful effects. Here, ICP-MS was used to determine the total and special content of Pb, As and Cd in the sewage sludge from G and Q Wastewater Treatment Plants, Beijing. The air-dried samples were dissolved in HNO₃-HClO₄ before the total content determination, or, sequentially extracted with BCR three-step method before special content determination for the heavy metals. The total contents are 19.60, 37.96 and 1.34 mg·kg^-1 dry weight (DW) for Pb, As and Cd in the sewage sludge from G Plant, respectively; or, 19.58, 23.46 and 2.30 mg·kg^-1 DW in that from Q Plant, respectively. Pb and Cd decreased dramatically in the total contents, compared to the corresponding data in the late 20th century. Both G and Q sludge samples show similar patterns in the species distribution for the three heavy metals: most of Pb and As are HAc soluble, and least are H₂O₂ oxidative; while Cd mainly exists in NH₂OH-HCl reductive state, seldom in HAc soluble state. Species with high ecotoxicity account for a major part (over 70%) of the three species for all the metals on the whole. The authors’ results provide basic data for the ecological risk assessment and utilization of municipal sewage sludge from Beijing.
		2009 Vol. 29 (07): 1976-1978 [Abstract] ( 232 ) PDF (1189 KB) ( 438 )

	1979	Study on Optical Emission Spectroscopy of Pulse Corona Methane Plasma
		LI Jin-ping^1,2, DAI Bin^2*, FAN Ting¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1979-04
		From experiments of methane pulse corona plasma and plasma emission spectrometry, the emission spectra of methane ranging from 370 to 1 100 nm were recorded and marked with CCD (Charge Coupled Device) grating spectrometry. The ionization products of H, C⁺, CH, C, C₂, C₃, C₄, C₅ and hydrocarbon were confirmed through high purity methane (purity 99.99%) ionized by pulse high voltage of 100 kV and 100 Hz under normal temperature and normal pressure. Through analyzing the experimental emission spectrum of methane plasma, the ionization mechanism, i.e. methane gas was ionized into corona plasma by pulse high voltage, was analyzed and the ionization of free radical CH_n(n=3, 2, 1), carbon and hydrocarbons was given as well. Research results show that the dehydrogenation achieved a high level when methane molecules collide inelastically with high energy electrons, and the hydrogen atoms, hydrogen ions and methane free radicals were synthesized into alkenes, alkynes, alkanes and high polymer of carbon with further inelastic collision of high energy electrons. This experimental spectrum and mechanism analysis can be applied to the research on methane conversion.
		2009 Vol. 29 (07): 1979-1982 [Abstract] ( 1547 ) PDF (1423 KB) ( 670 )

	1983	Application of ICP-MS to Detection of Mineral Elements and Heavy Metals in Cassava’s Byproducts
		TAO Hai-teng¹, ZHANG Chun-jiang¹, CHEN Xiao-ming¹, Lü Fei-jie^2*, TAI Jian-xiang², LI Kai-mian³
		DOI: 10.3964/j.issn.1000-0593(2009)07-1983-03
		Cassava is a main cultivated tropical crop in China, its rich starch roots are often used to produce fuel ethanol in recent years, so it’s a kind of hot biomass energy crops. But cassava’s byproducts such as leaves, stems and peels are regarded as waste, and are not fully utilized. Cassava’s byproducts contain many nutrients, and can be used to process high value food products. The contents of mineral elements and heavy metals in cassava’s byproducts were studied by ICP-MS. The results showed that cassava’s byproducts contained many elements necessary to human health, the sequence of macroelements was K>Ca>P>Mg>S>Mn>Zn>Na>Fe>B>Cu, particularly, the contents of Fe, Mn, Zn and B ranged from 10 to 800 μg·g^-1(DW), while the contents of microelements including Mo, Co, Se and Ge ranged from 0.01 to 0.2 μg·g^-1(DW), which are important to human health. Besides macroelements and microelements, the contents of heavy metals (As, Cr, Pb and Hg) were also important to identify the quality of farm products, and the results showed that cassava’s byproducts contained little heavy metals except Pb (2.19 μg·g^-1(DW) in stalk peels). All the data showed that cassava’s byproducts accorded with the national hygiene standards.
		2009 Vol. 29 (07): 1983-1985 [Abstract] ( 2071 ) PDF (978 KB) ( 590 )

	1986	Correlation between Trace Element Content of Eggshell and Breeding Characteristics of Three Bird Species in Northeast China
		ZHANG Zhuo^{1，2, 5}, GAO Wei^3*, WANG Ying⁴, ZHAN De-jiang⁴, CHEN Fang⁴
		DOI: 10.3964/j.issn.1000-0593(2009)07-1986-04
		The contents of trace elements in the eggshells of Emberiza jankowskii, Parus major and Passer montanus were examined by flame atomic absorption spectrophotometer (FAAS), and the correlations between these trace elements of eggshell and breeding characteristics of the three bird species were studied. In the meantime, the optimum parameters of FAAS were studied, and no cross effect were observed among the five trace elements. The recovery rates of standard addition of Mn，Mg，Cu，Fe and Zn were 95%-104% indicating a fairly good accuracy of the FAAS method. It was showed that the Zn and Mn contents in the eggshell of E. jankowskii were higher than those of P. major and P. montanus. However, the Cu, Fe and Mg contents in the eggshell of E. jankowskii were lower than those of P. major and P. montanus. E. jankowskii had the lowest breeding success rate and survive rate, P. montanus had the highest breeding success rate and survive rate, and P. major had the medial rates. Analysis of variance showed that there were significant difference in Mn, Mg, Cu, Fe and Zn contents of eggshell, the breeding success rate and survive rate among E. jankowskii, P. major and P. montanus. Correlation analysis showed that there was obviously a negative correlation between Mn and Zn contents of eggshells and the breeding success rate, the breeding survival rate of E. jankowskii, P. major and P. montanus, possibly suggesting some kind of connection between the breeding success rate, breeding survive rate and the Zn and Mn contents of eggshell of E. jankowskii, P. major and P. montanus. The considerably reduced breeding success rate of E. jankowskii could be due to the low level of Mg, Cu and Fe in its eggshell, causing suboptimal nutrition during embryonic development.
		2009 Vol. 29 (07): 1986-1989 [Abstract] ( 2198 ) PDF (1006 KB) ( 404 )

	1990	Flame Atomic Absorption Spectrometric Determination of H₂O₂ Using (Au)_core(Ag)_shell Nanoparticles
		JIANG Zhi-liang^{1, 2}, TANG Ya-fang², LIANG Ai-hui², GONG Qi³
		DOI: 10.3964/j.issn.1000-0593(2009)07-1990-03
		The 10 nm gold nanoparticles were prepared by Frens procedure. Using tri-sodium citrate as reducer of AgNO₃, and 10 nm gold nanoparticles as seed, the (Au)core(Ag)shell nanoparticles the size of about 30 nm were prepared at 90 ℃ for 10 min. Then it was separated by centrifuge at 10000 r·min^-1 for 15 min to obtain pure (Au)core(Ag)shell nanoparticles. In pH 3.8 sodium acetate-acetic acid buffer solution, hydroxyl free radical from Fenton reaction between Fe(Ⅱ)-H₂O₂ oxidized (Au)core(Ag)shell nanoparticles to form silver ions. The silver ions in the centrifugal solutions can be measured by flame atomic absorption spectrometry at 328.1 nm. The silver ions in the centrifugal solutions increased with the H₂O₂ concentration increasing, and the absorption value at 328.1 nm was enhanced linearly. The influence factors such as pH value, buffer solution volume, concentration of (Au)core(Ag)shell and Fe(Ⅱ), reaction temperature and time, and centrifuging velocity and time were considered, respectively. Under the conditions of 0.20 mL pH 3.8 sodium acetate-acetic acid buffer solution, 50 μL of 2.0 mmol·L^-1 FeSO₄, 60 μL of 2.94×10^-4 mol·L^-1 (Au)core(Ag)shell nanoparticle solution, reaction time of 20 min at 60 ℃, and centrifugalization at 14 000 rpm for 10 min, the increased value ΔA is proportional to the H₂O₂ concentration (ｃ) from 2.64 to 42.24 μmol·L^-1, with a detection limit of 0.81 μmol·L^-1. The regress equation was ΔA=0.014ｃ-0.013 1, with a coefficient of 0.998 4. The effect of foreign substances such as 100-times glucose, Cu²⁺, Mg^2＋, Ca²⁺,50-times urea, bovine serum albumin, Mn2+, Pb²⁺, and 30-times Cr³⁺ on the determination of 13.2 μmol·L^-1 H₂O₂ was examined respectively, with a relative error of ±10％. Results showed that there was no interference. This assay showed high sensitivity and good selectivity for quantitative determination of H₂O₂ in waste water samples, with satisfactory results. The analytical results were in agreement with that of the reference results.
		2009 Vol. 29 (07): 1990-1992 [Abstract] ( 312 ) PDF (990 KB) ( 521 )

	1993	Determination of Ten Metal Elements in Ziziphora Clinopodioides Lam by Microwave Digestion-FAAS
		TIAN Shu-ge¹,ZHOU Xiao-ying²,XU Tun-hai^{1, 3},DING Jian-bing¹,SHAN Li-juan¹,SHI Yang¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1993-04
		Comprehensive utilization of traditional Uighur medicine has been increasingly emphasized, and the relationship between metal elements and traditional Uighur medicine has attracted great attention, so it is quite important to determine the contents of traditional Uighur medicine. The Ziziphora clinopodioides Lam powder was digested with HNO₃ by microwave digestion before determination. Ten metal elements in Ziziphora clinopodioides Lam were determined by FAAS. The work conditions, accuracy and precision of the method were studied. The linear correlations of standard curves are good (r=0.999 0-0.999 8). The recovery (n=6) is 95%-108%, and the RSD(n=6) is 0.45%-1.53%. The results showed that there were comparatively rich metal elements, among which are comparatively high calcium, magnesium and potassium in Ziziphora clinopodioides Lam. The method offers traits of low detection limit, high sensitivity, speediness and exactness, and wasapplied to the determination of metal elements in samples with satisfactory results. It provided useful data for discussing the relationship between the content of the metal elements in Ziziphora clinopodioides Lam and clinical application of the Uighur medicine.
		2009 Vol. 29 (07): 1993-1996 [Abstract] ( 1699 ) PDF (1044 KB) ( 442 )

	1997	Comparative Study on Eight Trace Elements in Twelve Flower Medicines
		NIU Ying-feng^1，2,HAN Chun-mei³,SHAO Yun^1*,TAO Yan-duo¹
		DOI: 10.3964/j.issn.1000-0593(2009)07-1997-04
		Eight trace elements such as Ca, Cu, Fe, Mn, Zn, K, Mg and Na in twelve kinds of flower medicines were determined by flame-atomic absorption spectrometry with air-acetylene flame. The flower medicines include Pueraria lobata Ohwi., Gomphrena globosa L., Chrysanthemum morifolium Ramat., Prunus persica (L.) Batsch., Canna indica L., Pyrus bretschneideri Rehd P.spp, Rosa chinensis Jacq., Celosia cristata L., Sophora japonica L., Saussurea medusa Maxim., Iris lactea var.chinensis (Fisch.) koidz. and Gentiana straminea Maxim.. All of the flowers were commonly used in Tibetan medicines. Three kinds of the flowers were bought in the market and the others were picked in Qinghai province. These flower medicines were selected, dried and powdered, 4.000 g was weighed accurately with analytical balance, and five portions were used for each kind of sample. The content of eight trace elements in these flower medicines was determined and the difference in the content was observed. The recovery rate obtained by the standard addition method was between 96.76% and 102.93%, and the RSD was between 1.13% and 3.46%, so the accuracy of the method was better and the precision of the method was good. The results of the experiment indicated that the contents of the eight trace elements were rich in the twelve kinds of flower medicines, and the content of three trace elements including K, Mg, Na were more than other trace elements in the twelve flower medicines. There were considerable differences in the content of the eight trace elements in different flower medicines and there were more trace elements in Saussure medusa Maxim., Iris lactea var.chinensis (Fisch.) koidz., Canna indica L. and Celosia cristata L. and less trace elements in Sophora japonica L. and Gentiana straminea Maxim.. The data of the experiment could provide an accurate and credible evidence for the reasonable medicinal use and deeper exploitation of these flower medicines.
		2009 Vol. 29 (07): 1997-2000 [Abstract] ( 2235 ) PDF (997 KB) ( 603 )

	2001	Determination of Phosphorus and Iron in Cocatalyst for Maximum Propylene Production by X-Ray Fluorescence Spectrometry
		YANG Yi-qing^{1, 2}, CHEN Hui^1*, WANG Ya-hong², Lü-hong², PAN Zhi-shuang²
		DOI: 10.3964/j.issn.1000-0593(2009)07-2001-04
		The aim of the authors’ research work was to develop a new technique for quantitative analysis of phosphorus and iron contents in cocatalyst by X-ray fluorescence spectrometry (XRFS). A set of standard samples synthesized were prepared for the experiments with this purpose when the interferences of inter-elements had been corrected by empirical coefficient method. The standard samples were manually synthesized, and the powder pellets were used for sample preparation and the matrix effects were corrected by the experience coefficients. The characteristic X-rays of phosphorus and iron elements could selectively be determined with the enhanced accuracy and reduced time consumption within a range without signal interference from main-component elements. Manufacturing sample and measurement conditions of the new method was brought up; the matrix effects of cocatalyst samples were verified by empirical coefficient method. The results of experiment show that the accuracy and precision of this method satisfactorily had the high repeatability. The measuring ranges of elements were w 0.01%-2.5% for phosphorus and w 0.01%-2.5% for iron with the relative deviations of 0.34% for phosphorus and 0.59% for iron, respectively. This method showed satisfied accordant results compared with the chemical method and inductively coupled plasma (ICP). It has provided the analytical values for phosphorus and iron in cocatalyst for maximum propylene production. This new method has the advantages of satisfactory accuracy, high precision, less interference, easy sample handling and efficiency. In addition, the samples are not decomposed during the analysis process when each sample only requires 5 minutes for measurement. This new method will be able to meet the growing demands of quantitative analysis of phosphorus and iron content in cocatalysts. This method had the satisfactory accuracy and precision, the analytical range was large, and had been successfully applied to the determination of phosphorus and iron in cocatalyst.
		2009 Vol. 29 (07): 2001-2004 [Abstract] ( 2061 ) PDF (1070 KB) ( 667 )

	2005	Spectral Analysis of FeOOH Prepared Through Hydrolysis and Neutralization of Ferric Solutions under Different Conditions
		XIONG Hui-xin¹, LIANG Jian-ru¹, XU Yi-qun², ZHOU Li-xiang^1*
		DOI: 10.3964/j.issn.1000-0593(2009)07-2005-05
		In the present work, the iron oxyhydroxides were prepared by hydrolysis and neutralization of ferric ion from FeCl₃, Fe(NO₃)₃ and Fe₂(SO₄)₃ salts, under the conditions of various pH values and aging for about 6 days at 60 ℃. These iron minerals were identified and characterized using X-ray diffraction (XRD), infrared spectroscopy (IR) and scanning electron microscopy (SEM). In addition, particle size distributions of FeOOH suspension were also determined by LS-230 model laser grainsize analyzer. Results showed that ferrihydrite formed in the ferric solutions containing Cl^-, NO^-₃ and SO^2-₄ at pH values of 8 and 10. It was testified that the presence of Cl^- was favorable for the formation of akaganéite. Meanwhile, the poor crystalline goethite phase was observed to be formed in FeCl₃ or Fe(NO₃)₃ solution, but not be formed in Fe2(SO₄)₃ solution at pH 12. It indicated that the presence of SO^2-₄ obviously inhibited the formation of goethite. However, the goethite phase formed in Fe₂(SO₄)₃ solution with addition of ferrous ion, indicating that ferrous ion could promote the formation of goethite in SO^2-₄-rich solution. In addition, it was usually easy for the crystalline goethite to be transformed from the above generated ferrihydrite precipitates by aging at 60 ℃. Furthermore, the phase of akaganéite also was obtained in the Cl^--rich acid (pH≤5) solution by aging at 60 ℃. In conclusion, the prepared FeOOH samples show some differences in their properties such as the phase, surface properties, morphology structures and particle size.
		2009 Vol. 29 (07): 2005-2009 [Abstract] ( 2013 ) PDF (2185 KB) ( 584 )

	2010	A Method for Auto-Extraction of Spectral Lines Based on Sparse Representation
		ZHAO Rui-zhen¹, WANG Fei¹, LUO A-li², ZHANG Yan-xia²
		DOI: 10.3964/j.issn.1000-0593(2009)07-2010-04
		A new method for auto-extraction of spectral lines based on sparse representation is presented in the present paper. Firstly, the authors proposed a wavelet denoising scheme using a new theory called sparse representation for noise removal. After performing wavelet transform on the spectral signal, this method implements noise removal by solving an optimization problem, which makes the wavelet coefficients at each scale sparsest. The proposed method not only takes the structure properties in the wavelet coefficients into consideration, but also can well maintain the local characteristics of wavelet coefficients. Therefore it can effectively keep the information of featured spectral lines during the process of denoising. Secondly, the authors got satisfying continua by respectively utilizing the wavelet transform method and spline fitting method. The strong spectral lines were firstly removed from the given spectrum with wavelet transform, leading to the result that the obtained continuum approximated the real one very well. Finally, the spectrum was divided point to point by the obtainable continuum and the normalized spectrum was obtained. And then spectral lines were extracted from the normalized spectrum by using adaptive local thresholding scheme. Experimental results show that the proposed method is effective and efficient in the application of auto-extraction of spectral lines. The authors’ method will be also helpful for the automatic classification of astronomical spectra.
		2009 Vol. 29 (07): 2010-2013 [Abstract] ( 604 ) PDF (1467 KB) ( 881 )

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