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2009 Vol. 29, No. 04 Published: 2009-04-01

光谱学与光谱分析

	865	Emission Spectrum of Liquid CO-N₂ Mixture at Shock Compression
		SUN Yue^{1, 2},YI Peng-fei¹,CHEN Xian-meng^{1, 2},LIU Fu-sheng^{2, 3},ZHANG Ming-jian³,ZHENG Xue-ping³, XUE Xue-dong³
		DOI: 10.3964/j.issn.1000-0593(2009)04-0865-04
		Driving a copper projectile to impact a cryo-target made of aluminous alloy at the speed of 2.21 km·s^-1 with a two stage light gas gun, a proper one dimensional shockwave with a speed of 18.76 km·s^-1 was generated and directly acted on a uniform liquid in target, which was condensed by proportional gaseous carbon monoxide and nitrogen. At the measurement of Hugoniots, the full linear spectrum entirely dissociated with the plasma under the shock pressure of 33.5 GPa was caught by the use of intensified charge coupled device and accurate spectrographic technology. From the analysis of the spectrum, the authors know that the transient spectrograph with six channels can be used to measure and record the course of shock compression-irradiancy reliably, and the emitted spectral lines of shock compressed products indicated that the thermal dissociation and phase transition had occurred in homogeneous liquid of CO-N₂. Furthermore, comparing the spectral intensity of lower central wavelength with that of higher, the fact of stronger intensity of 488 nm also validates that changes from “optic thin” to “optic thick” exist indeed in dense hydrocarbon liquid acted on by shock pressure.
		2009 Vol. 29 (04): 865-868 [Abstract] ( 700 ) PDF (1669 KB) ( 668 )

	869	Emission Spectrum Analysis of Laser Ablation on the Silicon Surface
		HAN Jing-hua^1，2,FENG Guo-ying^1*,YANG Li-ming²,YANG Li-ling¹,ZHANG Qiu-hui¹,XIE Xu-dong³,ZHU Qi-hua³
		DOI: 10.3964/j.issn.1000-0593(2009)04-0869-05
		The free electron density and temperature of laser-induced plasma and the damage on the silicon surface were investigated. The results show that the volume and the free electron density of laser induced plasma, as well as the plasma temperature will determine the profile and the size of silicon superficial damage. It was also found that the volume of laser plasma will increase continuously and the temperature will increase slightly with the increase in the energy of laser pulse, while the density of free electrons will remain invariable. The free electron density and the temperature reduce gradually from centre to edge, so the damage appearance has the following features: The interior area of damage was melted so well that the periodic stripes were formed. The periodic stripes were quite irregular for the area not melted very well. The boundary of damage is apparent and sometimes color changes induced by plasma spattering were observed.
		2009 Vol. 29 (04): 869-873 [Abstract] ( 2526 ) PDF (2015 KB) ( 562 )

	874	Study of Supercontinuum in Nanofiber
		YANG Hao¹,FENG Guo-ying^1*,ZHU Qi-hua^1,2,WANG Jian-jun^1,2,LI Lin-li¹,ZHOU Hao¹,ZHOU Shou-huan^1,3
		DOI: 10.3964/j.issn.1000-0593(2009)04-0874-04
		Using split-step Fourier transform method, the authors performed the simulation on supercontinuum generation (SCG) of femtosecond laser in nanofiber. The effects of diameter of the nanofiber, peak power and input pulse duration on the supercontinuum generation were analyzed. The results show that the higher the peak power of the input pulse, the easier the supercontinuum generation could be observed; the narrower the input pulse, the wider the light spectrum width. The dimension of the nanofiber plays an very important role in supercontinuum generaion of femtosecond laser pulse, the supercontinuum generation is not inversely proportional to the diameter of nanofiber, and there is a optimum diameter of nanofiber for the certain input laser pulse, so that the supercontinuum generation can be noteworthy. The obtained results in this paper would be helpful for further research on and making use of the supercontinuum generation in nanofiber.
		2009 Vol. 29 (04): 874-877 [Abstract] ( 1254 ) PDF (1673 KB) ( 434 )

	878	Analysis of Oxygen Atmospheric Band in Dielectric Barrier Discharge at Atmospheric Pressure
		XIE Wei-jie^1,2,LI Long-hai^1,3,JIANG Ju-hui¹,CAI Wei-min¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0878-05
		The emission spectra of pure oxygen in dielectric barrier discharge at atmospheric pressure were observed. Comparison between experimental and fitting spectra of oxygen A band (b ¹Σ^＋^_g→X ³Σ^-_g)(0, 0)was used to determine the gas temperature, and the electronic temperature was calculated from O Ⅰ lines. The causation of oxygen A band in atmospheric dielectric barrier discharge was discussed by means of analysis of producing and quenching approaches. The result showed that the electronic temperature, (11 800±400) K, was much higher than the gas temperature, (650±20) K. The emission from a ¹Δ_g or A ³Σ^＋_u was not been observed, but atmospheric band with its resoluble rotational structure was measured.
		2009 Vol. 29 (04): 878-882 [Abstract] ( 1243 ) PDF (1741 KB) ( 666 )

	883	Infrared Radiative Characteristic of Ho³⁺ in Heavy Metal Tellurite Glasses
		ZHANG Ying-ying¹,LI Chang-min¹,ZHAO Xin¹,YANG Dian-lai²,LIN Hai^1,2*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0883-04
		Ho³⁺ doped and Ho³⁺/Yb³⁺ co-doped low phonon heavy metal tellurite glasses with large refractive indices were designed and fabricated. Based on optical absorption, Judd-Ofelt parameters Ω₂, Ω₄ and Ω₆ were derived to be 4.373×10^-20,1.906×10^-20 and 1.451×10^-20 cm²,respectively. Then the radiative transition probabilities, radiative lifetimes and fluorescence branching ratios were calculated. The efficient infrared emission in Ho³⁺/Yb³⁺ co-doped bismuth tellurite glass system was recorded under the pumping of a 982 nm diode laser and Yb³⁺ was considered to be a preferable sensitizer for catching remarkable pumping energy and transferring considerable energy to Ho³⁺. The maximum absorption and calculated emission cross sections are 5.63×10^-21 cm² at 1.95 mm and 6.24×10^-21 cm² at 2.05 mm, respectively, which are larger than the values in phosphate and fluoride glasses, and are beneficial in lowing laser threshold as well as realizing efficient laser output of Ho³⁺. Low maximum photon energy and high emission cross sections indicate that Ho³⁺/Yb³⁺ co-doped low phonon bismuth tellurite glasses will be promising infrared laser materials.
		2009 Vol. 29 (04): 883-886 [Abstract] ( 1334 ) PDF (1197 KB) ( 484 )

	887	Preparation and Luminescence Properties of EuVO₄
		Namila^{1, 2},WANG Xi-gui²,ZHENG Xue-fang^1*,AO Cui-hua²,KANG Yi-you²
		DOI: 10.3964/j.issn.1000-0593(2009)04-0887-04
		The material of EuVO₄ was prepared by solid state reaction, and the structure, crystal form and luminescence properties of the material were characterized by X ray diffraction spectrum, infrared spectrum analysis, excitation spectrum and emission spectrum, respectively. XRD was measured at different annealing temperature and the results indicate that V₂O₅ and Eu₂O₃ began to react around 600 ℃, and the reaction almost finished at 700 ℃ with the component of product being EuVO₄. The product is in tetragonal crystallographic structure, consistent with crystal EuVO₄. So the high purity of EuVO₄ was obtained and was stable at high temperature and in chemistry environment. The IR analysis shows that the VO bond stretching vibration became weaker，and moved towards low wavelength. However, the O—V—O bond of asymmetrical stretching vibration increased remarkably. We also found that the product transferred to EuVO₄ after annealed at 700 ℃. In excitation spectrum (the monitoring wavelength is 617 nm), the Eu—O charge transportation band disappeared with increasing temperature, and the strong band at 323 nm is corresponding to ⁷F₀—⁵H₃ transition of europium ion. And the other bands at 361, 382, 395, 417 and 465 nm are corresponding to ⁷F₀—⁵D₄, ⁷F₀—⁵L₇, ⁷F₀—⁵L₆, ⁷F₀—⁵D₃ and ⁷F₀—⁵D₂ transition of europium ion respectively. The excitation spectra at different annealing temperature approved the formation temperature of EuVO₄ again. The emission spectra were excited at 275 nm, indicating that with the inversion of V₂O₅ and Eu₂O₃ to EuVO₄, the excitation wavelength changed from 275 to 323 nm. Stimulatingly, the appearance of the bands at 467, 592 and 616 nm was corresponding to blue transition of VO^3-₄ ion, magnetic dipole transition ⁵D₀—⁷F₁ and electric dipole transition ⁵D₀—⁷F₂ of europium ion at 592 and 616 nm, respectively. The authors obtained the material with both blue light and red light. And we found that VO^3-₄ sensitized the luminescence intensity of europium ion remarkably.
		2009 Vol. 29 (04): 887-890 [Abstract] ( 1452 ) PDF (1521 KB) ( 453 )

	891	Spectral Analysis and Photoluminescence Properties of Eu-Tb Codoped Polymer
		LI Jie¹,XU Bing-she²,LI Ying-chun¹,XIE Jiang-bo¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0891-05
		In the present paper, Eu_0.5Tb_0.5(TTA)₃Phen was synthesized and Eu_0.5Tb_0.5(TTA)₃Phen/PMMA was prepared by in-situ polymerization. The structure of Eu_0.5Tb_0.5(TTA)₃Phen/PMMA was characterized by FTIR spectra. Microscopic morphology and photoluminescence properties were investigated by SEM photographs and fluorescence spectra. The results indicated that polymer parts were attached with the rare-earth molecular parts in the composite luminescent materials.And Eu_0.5Tb_0.5(TTA)₃Phen/PMMA could emit mostly characteristic fluorescence of europium ion and intense red fluorescence with a peak wavelength at 611.8 nm and a bandwidth of 10.4 nm(Purity: 0.990 5) under UV excitation at 365 nm. Its fluorescence intensity was found to be influenced with the content of MMA. It was demonstrated that Eu_0.5Tb_0.5(TTA)₃Phen/PMMA was an excellent red photoluminescent rare-earth polymer material.
		2009 Vol. 29 (04): 891-895 [Abstract] ( 2537 ) PDF (1537 KB) ( 582 )

	896	The Application of Alkaline-Earth Metal Sulphide Material in Radiation Dose Measurement
		CHEN Chao-yang¹,FAN Yan-wei¹,LIU Yan-ping^{1, 2},WANG Jun-hua¹,BA Wei-zhen¹,GUO Qi¹,CHANG Ai-min¹, LU Wu¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0896-05
		In the present paper, the material of alkaline-earth metal sulphide doped with two kinds of rare-earth metal ions was prepared by carbon reduction method, and the radiation characteristics of optically stimulated luminescence of this material are described. The PMMA dosimeter films were taken into the radiation source，then the fluorescence signal from the dosimeter films was measured with the test system build by ourselves. The relation between the radiation dose and the fluorescence intensity of the dosimeter films was obtained. The measuring range of the dosimeter was from 0.01 to 1 000 Gy (5 orders of magnitude), and there is a good linear relationship between stimulated luminescence signal value of the material and the dose. It demonstrates that this device has a good prospect. This equipment is relatively simple, small in size and low in power consumption. This device is suitable for measuring the space radiation dose exploration.
		2009 Vol. 29 (04): 896-900 [Abstract] ( 2549 ) PDF (2758 KB) ( 480 )

	901	Preparation and Characterization of Mg_xZn_1-xO Powders
		LIU Quan-sheng,ZHANG Xi-yan^*,BAI Zhao-hui,WANG Xiao-chun,MI Xiao-yun,LU Li-ping,ZHOU Ying
		DOI: 10.3964/j.issn.1000-0593(2009)04-0901-03
		Mg_xZn_1-xO has been subjects of intense attention as a novel photo-electronic functional material in recent years. In the present paper, MgxZn_1-xO powders were prepared by sol-gel method. Effects of Mg contents on Mg_xZn_1-xO structure and luminescence properties were studied. The authors observed that Mg_xZn_1-xO exhibited two kinds of structures, hexagonal wurtzite and face center cubic while x was in the range of 0 and 1. The Mg_xZn_1-xO powders were hexagonal wurtzite structure with x<0.2, face center cubic structure with x>0.2 and their blend structure with x between 0.2 and 0.8. Luminescence spectrum analysis indicated that all Mg_xZn_1-xO samples with various composition showed luminescence of ultra-violet and visible light. The ultraviolet emission peak was from 370 nm to 384 nm and the visible emission peak was around at 468 nm. The average size of Mg_xZn_1-xO powders was about 100 nm.
		2009 Vol. 29 (04): 901-903 [Abstract] ( 1273 ) PDF (1497 KB) ( 448 )

	904	Study on Back Contact Layer of CdTe Solar Cell by XPS
		YANG Fang¹,ZHONG Yong-qiang²,ZHENG Jia-gui^1*,FENG Liang-huan1, CAI Wei¹,CAI Ya-ping¹,ZHANG Jing-quan¹,LI Bing¹,LEI Zhi¹,LI Wei¹,WU Li-li¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0904-04
		ZnTe and ZnTe∶Cu polycrystalline films were fabricated by means of co-evaporating at room temperature. The sturcture and distribution of various elements were studied by XPS and XRD. The XRD results show that the phase structure of the films deposited at different substrate temperature almost remains unchanged, XPS analysis shows that the compositional dependence of sputtering time is different for the films deposited at different deposition rate. The distribution of Cu in the film grows with the increase in the sputtering time, and reaches a maximum, then falls down rapidly. According to the transformation of the distribution of Cu we excogitated how to prevent Cu diffusion in ZnTe films. Considering Cu as a function of time, ZnTe films were first deposited at the substrate temperature of 70 ℃, and then ZnTe∶Cu films were deposited at room temperature, effectively preventing the diffusion of Cu atom, and thus improving the efficiency of CdTe solar cells.
		2009 Vol. 29 (04): 904-907 [Abstract] ( 3650 ) PDF (1917 KB) ( 679 )

	908	*Establishment of Bioassay Method for Antivirus Potency of Radix Isatidis* Based on Chemical Fluorometric Determination**
		LI Han-bing^{1, 2},YAN Dan¹,JIN Cheng¹,WANG Jia-bo¹,WEI Li^{1, 2},XIAO Xiao-he^1*,CAO Jun-ling³
		DOI: 10.3964/j.issn.1000-0593(2009)04-0908-05
		In the present study, the in vitro inhibitory activity of extracts from radix isatidis on neuraminidase (NA) was investigated by the chemical fluoremetic determination to establish the quality control method for antivirus action of radix isatidis. The initial study indicated that radix isatidis had obvious in vitro inhibitory activity on NA with IC₅₀=(0.90±0.20) mg(herb)·mL^-1. The correlation between logarithmic dose and reaction rate showed a “S” shape and a linear curve (linear equation, y＝8.725 9+1.216 9×log(D), R=0.999 2) when the reaction rate was converted to probit-quite similar to Tamiflu’s reaction curve, which hinted that radix isatidis had the same inhibitory function on NA as Tamiflu. According to the reaction type and the regularity of “parallel lines of qualitative effect”, the experimental condition was optimized and a statistic method was confirmed based on the principle of bioassay statistic. Then the bioassay method for antivirus potency of radix isatidis based on fluorometric determination was established. The results of bio-potency assay showed the qualitative differences of radix isatidis samples sensitively and quantitatively. Meanwhile, this method has good reproducibility with RSD=5.78% and reliability. The quality bioassay control method based on chemical fluorometric determination can reflect the pharmaco-dynamic features of Chinese medicine herb.
		2009 Vol. 29 (04): 908-912 [Abstract] ( 332 ) PDF (1331 KB) ( 561 )

	913	Research on the Robustness Improvement of Calibration Model for Measuring the Contents of Components in Milk by Multidimensional Calibration in Near-Infrared Spectroscopy
		PENG Dan^1，2,XU Ke-xin^1*,SONG Yang¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0913-05
		A new hybrid algorithm (NOSC-NPLS), the combination of multi-way orthogonal signal correction (N-OSC) algorithm and multi-way partial least squares (N-PLS) algorithm, is proposed. In NOSC-NPLS algorithm, the 3-D spectral matrix was firstly constructed, which is composed of the temperature information and the NIR spectrum. Secondly, the N-OSC algorithm was used as a pretreatment algorithm to remove the interference information irrelevant to analyte in 3-D spectral matrix. Finally, the N-PLS algorithm was applied to develop the calibration model based on the pretreated 3-D transmission spectral matrix and content matrix of major components in milk. In order to evaluate the performances of conventional algorithms and multidimensional calibration algorithms on suppressing the effects of temperature variation, a batch of milk samples at temperature of 25, 30, 35 and 40 ℃ were measured in the wavelength range from 1 100 to 1 700 nm and the experimental results were investigated. It was found that the conventional algorithms, which could not suppress the effects caused by temperature variation, failed to obtain satisfactory results. However, compared with these algorithms, the experimental results showed that the NOSC-NPLS algorithm can effectively eliminate the effects of temperature variation and also can help achieve the analytic models with better prediction ability and robustness.
		2009 Vol. 29 (04): 913-917 [Abstract] ( 2526 ) PDF (1414 KB) ( 532 )

	918	Study on the Effects of Nucleating Agents on Photooxidation Degradation of PP by FTIR and IM
		LI Ji-fang, YANG Rui^*,YU Jian, WANG Kun-hua, LIU Ying
		DOI: 10.3964/j.issn.1000-0593(2009)04-0918-04
		In the present paper, the natural photooxidation degradation behavior and mechanism of PP containing two α-nucleating agents (TM-1 and TM-3) and a β-nucleating agent (TMB-5) were studied by Fourier transform infrared spectroscopy (FTIR) and infrared microscopy (IM) so that helpful instructions would be obtained for the PP material design and applications. The results showed that the nucleating agents had significant impact on the photooxidation stability of PP. The existence of them accelerated the photooxidation reaction of PP to different extents with the rank of PP/TMB-5＞PP/TM-3＞PP/TM-1＞PP. However, the photooxidation procedure and the corresponding oxidative products did not change. The oxidation profiles in PP and nucleated PP bars after exposure had similar trends. The carbonyl index curves had a maximum at the surface and declined gradually with distance from the exposed surface, then decreased to nearly zero at the depth of about 250 μm, which was named as the surface oxidation layer (SOL). The SOL thickness, which was dependent on the transmission of the ultraviolet light, the oxygen diffusion and mostly the “skin” layer formed during the injection moulding, did not change with exposure time. The development of oxidation along the depth coincided with the initiation and propagation of the surface cracks. Before fragments dropped from the seriously oxidized surface, the photooxidation degradation of PP was restricted mainly in the surface oxidation layer.
		2009 Vol. 29 (04): 918-921 [Abstract] ( 477 ) PDF (1810 KB) ( 492 )

	922	Research on Traumatic Brain Real-Time Monitoring by Near-Infrared Technology
		MAO Wen-lan¹,QIAN Zhi-yu^1*,YANG Tian-ming²,HE Liang²,GUO Li-na¹,WU Qi²
		DOI: 10.3964/j.issn.1000-0593(2009)04-0922-04
		In order to monitoring the development of traumatic brain edema in vivo, a specifically designed optical parameters of tissue testing system wit h a mini-invasion bifurcated optical fiber probe and a fiber spectrometer was used to monitor the reduced scattering coefficient(μ′_s) of t he rat traumatic brain while the counterpart parameter, i.e. brain water content (BWC), was also measured. Acute rat regional brain trauma was applied according to Feeney’s apparatus. The changes of brain edema were monitored by near-infrared spectroscopy (NIRS) technology and by measuring the water content of the brain. Experiment result showed that distinct brain edema in injured areas was found at 6 hours later after trauma, which reached a summit of severity at 24-72 hours later after trauma, then gradually declined. After using the dehydrant, the brain edema situation became better, and then, the edema occurred again whilet he medicamentosus effect of dehydrant was gradually lost. It can be showed that μ′_s had similar change profile wit h BWC and the two parameters were well linearly relative to each other. μ′_s is a good indicator for monitoring traumatic brain edema and t he medicamentosus effect of dehydrant. As a result near-infrared spectroscopy is a new feasible method of monitoring the development of traumatic brain edema in vivo.
		2009 Vol. 29 (04): 922-925 [Abstract] ( 3976 ) PDF (1347 KB) ( 714 )

	926	Nondestructive Determination of Nitrate Content in Spinach Leaves with Visible-Near Infrared High Spectra
		XUE Li-hong, YANG Lin-zhang^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0926-05
		The objective of the present research was to study the potential of Vis-NIR (visible-near-infrared) high spectra for nondestructive determination of nitrate content in spinach leaves. Five different nitrogen treatments were carried out to achieve a wide range of nitrate content in spinach leaves. The leaf reflectance was measured between 350 to 2 500 nm with a 1 nm step with a leaf clip by ASD Fieldspec FR spectroradiometer, and the nitrate content was measured by spectrophotometric method (National Standard Method of P. R. China). Statistical models were developed using partial least squares (PLS) and principal component regression (PCR) analysis technique, different mathematical treatments for spectra processing such as smoothing, first and second derivative analysis, baseline correction, multiplicative scatter correction (MSC), and standard normal variate correction (SNV), and different wavelength ranges were compared to determine the best model. The dataset was separated into two parts: one used for calibration (n=43), and the other used for test (n=15). First, the model was calibrated and cross-validated with the calibration dataset, then the model was validated with the test dataset to test its prediction ability. The results showed that smoothing, first derivative and second derivative analysis can improve the prediction obviously, while other spectra pre-processing technique e.g. baseline correction, MSC and SNV technique can improve the prediction little. PCR analysis could get better modeling results than PLS analysis. The best mode1 was obtained with the spectra first processed by smoothing then by first derivative change in the full range (350-2 500 nm). Test of the best PLS model and PCR model with an independent dataset exhibited a good agreement between the predicted and observed values, with the correlation coefficient of 0.94 for PLS model and 0.95 for PCR model, and the prediction RMSE was 128.2 mg·kg^-1 for PLS model and 120.8 mg·kg^-1 for PCR model, respectively. These results indicate that visible-NIR spectra technique is a feasible, nondestructive way to predict the nitrate content in spinach leaves.
		2009 Vol. 29 (04): 926-930 [Abstract] ( 1326 ) PDF (1291 KB) ( 502 )

	931	NIR Spectroscopy Based on Least Square Support Vector Machines for Quality Prediction of Tomato Juice
		HUANG Kang, WANG Hui-jun, XU Hui-rong^*,WANG Jian-ping, YING Yi-bin
		DOI: 10.3964/j.issn.1000-0593(2009)04-0931-04
		The application of least square support vector machines (LS-SVM) regression method based on statistics study theory to the analysis with near infrared (NIR) spectra of tomato juice was introduced in the present paper. In this method, LS-SVM was used for establishing model of spectral analysis, and was applied to predict the sugar contents (SC) and available acid (VA) in tomato juice samples. NIR transmission spectra of tomato juice were measured in the spectral range of 800-2 500 nm using InGaAs detector. The radial basis function (RBF) was adopted as a kernel function of LS-SVM. Sixty seven tomato juice samples were used as calibration set, and thirty three samples were used as validation set. The results of the method for sugar contents (SC) and available acid (VA) prediction were: a high correlation coefficient of 0.990 3 and 0.967 5, and a low root mean square error of prediction (RMSEP) of 0.005 6° Brix and 0.024 5, respectively. And compared to PLS and PCR methods, the performance of the LS-SVM method was better. The results indicated that it was possible to built statistic models to quantify some common components in tomato juice using near-infrared (NIR) spectroscopy and least square support vector machines (LS-SVM) regression method as a nonlinear multivariate calibration procedure, and LS-SVM could be a rapid and accurate method for juice components determination based on NIR spectra.
		2009 Vol. 29 (04): 931-934 [Abstract] ( 1294 ) PDF (1077 KB) ( 552 )

	935	Model-Based FTIR Reflectometry Measurement System for Deep Trench Structures of DRAM
		LIU Shi-yuan¹,ZHANG Chuan-wei²,SHEN Hong-wei²,GU Hua-yong²
		DOI: 10.3964/j.issn.1000-0593(2009)04-0935-05
		A method and system for measuring deep trench structures of dynamic random access memory (DRAM) based on Fourier transform infrared (FTIR) reflectometry is proposed. The principle of the measurement system is presented, along with a detailed description of the optical path design. By regulating the slit aperture to decrease the size of the detection spot and optimizing the incidence angle onto the wafer, the reflection from the backside of the wafer is suppressed, thus the signal-to-noise ratio (SNR) of the measurement is increased significantly. The experiments carried out on the deep trench structures of DRAM demonstrate that the trench geometric parameters can be extracted with a nanometer scale accuracy using the proposed system, thus the technique is proven to provide a non-contact, nondestructive, time-effective, low-cost and high resolution tool for the measurement of deep trench structures. It is expected that the proposed technique will find potential applications in the on-line monitoring and process control for microelectronics and microelectromechanical system (MEMS) manufacturing.
		2009 Vol. 29 (04): 935-939 [Abstract] ( 2450 ) PDF (1859 KB) ( 500 )

	940	Study on Classification of Ethylene Treated and Non-Ethylene Treated Watermelons by Visible/Near Infrared Spectroscopy
		TIAN Hai-qing^1，2,YING Yi-bin^1*,LU Hui-shan¹,XU Hui-rong1, XIE Li-juan¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0940-05
		According to the fact that farmers often picked unripe watermelon and treated them with high concentration ethylene to quicken ripeness, classification experiments on the two classes of watermelon mentioned above were conducted based on the Vis/NIR spectroscopy diffuse transmittance technique. In the discriminant analysis, a method to classify them by diffuse transmittance ration at two wavelengths was adopted to discriminate them. Result of mistake ratio 32.5% for samples without ethylene treatment and 20% for ethylene treatment samples indicated that this method could discriminate the two classes of watermelons roughly. Mahalanobis distance and partial least square methods were also used here for discriminant analysis and satisfied results were obtained. The first derivative spectra with Norris derivative filtering of samples without being ethylene-treated using Mahalanobis distance discriminant analysis got the result of mistake ratio 1.67% for calibration set, no mistake for prediction set and no mistake for samples being ethylene treated. No mistake took place for the second derivative spectra using partial least square method. In discriminant analysis, spectral data pretreatment methods influence the discriminant results and it should be selected according to the analysis methods.
		2009 Vol. 29 (04): 940-944 [Abstract] ( 2375 ) PDF (1882 KB) ( 514 )

	945	Comparative Research on Wastewater Treatment with Two Hydrophytes by FTIR
		LI Xing, LIU Peng^*,ZHANG Zhi-xiang
		DOI: 10.3964/j.issn.1000-0593(2009)04-0945-05
		The spectra of root, stem, leaf of two hydrophytes (Oenanthe javanica and Iris pseudacorus) with CK, low, medium and high metal treatment (Cr, Fe, Mn and Zn) were determined directly, fast and accurately by Fourier transform infrared (FTIR) spectrometry with OMNI-sampler. The results showed that the peak shape of plant component remained invariable basically when absorbing heavy metals. Significant absorption peak shifts of some functional groups such as hydroxy groups (3 328-3 361 cm^-1), carboxyl groups (1 402-1 440 cm^-1), and acidamide groups (1 620-1 645 cm^-1)can be seen when they participated in the process of absorbing heavy metals. The varieties of organic characteristic peaks were also capable of reflecting physiology and metabolism changes. With increasing heavy metal concentration, the absorption intensity of most root characteristic peaks correlated with physiology decreased significantly for the two hydrophytes, but it was decreased for stem, leaf characteristic peaks of Oenanthe javanica. The absorbance of stem, leaf was bigger than the control for different heavy metals for Iris pseudacorus. To sum up, although two hydrophytes could endure certain concentration of heavy metals, the tolerance of Iris pseudacorus was greater than that of Oenanthe javanica. With strong identifying ability, exact determination results and fast response function, the application of FTIR method has been popularized gradually in the field of environmental science. Recently, greater progress has been made in the study and use of FTIR in the fields of environmental accident emergent monitoring, environmental monitoring and environmental chemistry research. The infrared spectra could also be widely used to monitor changes in chemical composition of plant parts under stresses and environmental restoration and supply the best evidence for phytoremediation. This method was an important tool for detecting unknown pollutants and environmental monitoring.
		2009 Vol. 29 (04): 945-949 [Abstract] ( 1207 ) PDF (1513 KB) ( 813 )

	950	Effect of Pathlength Variation on the NIR Spectra for Quality Evaluation of Chinese Rice Wine
		LIN Tao, YU Hai-yan, XU Hui-rong^*,YING Yi-bin
		DOI: 10.3964/j.issn.1000-0593(2009)04-0950-06
		Near infrared (NIR) spectroscopy and chemometrics were applied to determine the effect of pathlength variation on the spectra of the Chinese rice wine and the consequences of the prediction precision of calibration models developed for measuring alcoholic degree, sugar content, and pH was investigated in the present research. Samples were scanned in transmission mode using a commercial FT-NIR spectrometer and a demountable liquid cell for versatile path length liquid sampling. By comparing the results of performance between models based on different optical pathlength (0.5, 1, 1.5, 2, 2.5, and 3 mm), the best indicators of optical pathlength were identified. Based on the optimum pathlength, the models for alcoholic degree, sugar content and pH were established. The best optical pathlength for the alcoholic degree was 2 mm, using partial least squares regression (PLSR) model with the original spectra, correlation coefficient (r) was 0.942, root mean standard error of calibration (RMSEC) and root mean standard error of cross-validation (RMESCV) were 0.256 (％,(φ)) and 0.292 (％,(φ)), respectively; the best optical pathlength for the sugar content was 1 mm, using PLSR model with the original spectra, r was 0.945, and RMSEC and RMESCV were 0.125％ and 0.149％, respectively; the best optical pathlength for the pH was 2 mm, using PLSR model with the original spectra, r was 0.947, and RMSEC and RMESCV were 0.018 and 0.039, respectively. This study showed that pathlength variation had influence on the performance of calibration models for Chinese rice wine, and a suitable pathlength could effectively improve detection accuracy.
		2009 Vol. 29 (04): 950-955 [Abstract] ( 305 ) PDF (1660 KB) ( 616 )

	956	Study on Infrared Spectra Characteristics of Fault Particles of the Sulfide Deposit
		CAO Jian-jin, JIANG Zong-tao, XIONG Zhi-hua, YANG Yan-na, CHEN Shi-yue
		DOI: 10.3964/j.issn.1000-0593(2009)04-0956-04
		Predecessors researched emphatically the mineralization and the movement of ore body in space in fault movement. Study on particles that were formed from sulfide ore and wall rock in fault movement has been always ignored. The present paper studies the fault particles of the sulfide deposit using the FTIR spectroscopic spectra and scanning electron microscope. The results show that the samples consist of hydrous calcium sulphate, hydrous sulfur calcium carbonate, quartz, sericite, and organic matter. This shows that S^2- in sulfide minerals is oxidized and transformed into S⁶⁺ in fault movement. Sulfide minerals formed hydrous calcium sulphate and sulfide minerals and carbonate minerals formed hydrous sulfur calcium carbonate. Hydrous sulfur calcium carbonate is a mineral newly discovered in our study. The research results not only can be applied in the prospect and the exploration of this ore deposit type but also is important for ore utilization. In addition, this paper discussed identification characteristics of infrared spectrum of hydrous calcium sulphate and hydrous sulfur calcium carbonate and pointed out that infrared spectral analysis is suitable for analysis of hydrous calcium sulphate and hydrous sulfur calcium carbonate particles formed in fault movement.
		2009 Vol. 29 (04): 956-959 [Abstract] ( 1298 ) PDF (1468 KB) ( 452 )

	960	Proximate Analysis of Straw by Near Infrared Spectroscopy(NIRS)
		HUANG Cai-jin, HAN Lu-jia^*,LIU Xian, YANG Zeng-ling
		DOI: 10.3964/j.issn.1000-0593(2009)04-0960-04
		Proximate analysis is one of the routine analysis procedures in utilization of straw for biomass energy use. The present paper studied the applicability of rapid proximate analysis of straw by near infrared spectroscopy (NIRS) technology, in which the authors constructed the first NIRS models to predict volatile matter and fixed carbon contents of straw. NIRS models were developed using Foss 6500 spectrometer with spectra in the range of 1 108-2 492 nm to predict the contents of moisture, ash, volatile matter and fixed carbon in the directly cut straw samples; to predict ash, volatile matter and fixed carbon in the dried milled straw samples. For the models based on directly cut straw samples, the determination coefficient of independent validation (R²V) and standard error of prediction (SEP) were 0.92% and 0.76% for moisture, 0.94% and 0.84% for ash, 0.88% and 0.82% for volatile matter, and 0.75% and 0.65% for fixed carbon, respectively. For the models based on dried milled straw samples, the determination coefficient of independent validation (R²_V) and standard error of prediction (SEP) were 0.98% and 0.54% for ash, 0.95% and 0.57% for volatile matter, and 0.78% and 0.61% for fixed carbon, respectively. It was concluded that NIRS models can predict accurately as an alternative analysis method, therefore rapid and simultaneous analysis of multi-components can be achieved by NIRS technology, decreasing the cost of proximate analysis for straw.
		2009 Vol. 29 (04): 960-963 [Abstract] ( 1294 ) PDF (1012 KB) ( 596 )

	964	Determination of Hesperidin in Tangerine Leaf by Near-Infrared Spectroscopy with SPXY Algorithm for Sample Subset Partitioning and Monte Carlo Cross Validation
		ZHAN Xiao-ri¹,ZHU Xiang-rong²,SHI Xin-yuan¹,ZHANG Zhuo-yong²,QIAO Yan-jiang^1*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0964-05
		It is very crucial that a representative training set can be extracted from a pool of real samples. Moreover, it is difficult to determine the adapted number of latent variables in PLS regression. For comparison, PLS models were constructed by SPXY, as well as by using the random sampling, duplex and Kennard-Stone methods for selecting a representative subset during the measurement of tangerine leaf. In order to choose correctly the dimension of calibration model, two methods were applied, one of which is leave-one-out cross validation and the other is Monte Carlo cross validation. The results present that the correlation coefficient of the predicted model is 0.996 9, RMSECV is 0.768 1, and RMSEP is 0.736 9, which reveal that SPXY is superior to the other three strategies, and Monte Carlo cross validation can successfully avoid an unnecessary large model, and as a result decreases the risk of over-fitting for the calibration model.
		2009 Vol. 29 (04): 964-968 [Abstract] ( 1397 ) PDF (1333 KB) ( 661 )

	969	Study on Malignant and Normal Rectum Tissues Using IR and ¹H and ³¹P NMR Spectroscopy
		GAO Xiu-xiang¹,YAO Hong-wei²,DU Jun-kai³,ZHAO Mei-xian^{1, 4},QI Jian¹,LI Hui-zhen^{1, 5},PAN Qing-hua^{1, 6}, XU Yi-zhuang^1*,WU Jin-guang¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0969-05
		In the present paper, NMR spectroscopy, an effective tool to detect the variation in molecular structure and changes in chemical composition of metabolites in tissues, was used to study the differences between malignant and normal tissues from rectum. ¹H and ³¹P spectra of seven malignant rectum tissue samples and five normal control tissues were investigated by using a 300 M NMR spectrometers and compared with the results of the infrared spectra of normal and malignant rectum organ tissues. The results indicate that the ¹H and ³¹P spectra of rectum cancer tissues are significantly different from those of the normal controls and most differences present in the form of variation in relative intensities of the characteristic peaks of various metabolites. Systematic differences in the NMR spectra between malignant tissues and normal controls are as follows: in the 1H NMR spectra, differences lie in fatty acids with the concentration of fatty acid decreasing significantly in malignant tissues. In the ³¹P NMR spectra, differences lie in phospholipid, with the chemical shift of phospholipid decreasing significantly in malignant tissues. This phenomenon may reflect the fact that the activity of protein synthesis is enhanced in cancerous tissues. The difference in the chemical shift of phospholipid between normal rectal tissue and malignant tissue may be considered as a detection criterion. Therefore, the above spectral variations in ³¹P NMR spectra may be utilized as a potential tool to diagnose rectum cancer.
		2009 Vol. 29 (04): 969-973 [Abstract] ( 2983 ) PDF (1307 KB) ( 582 )

	974	Application of Near Infrared Spectroscopy in Analysis of Wood Properties
		YAO Sheng,PU Jun-wen^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0974-05
		There is substantial interest in the improvement of wood properties through genetic selection or a change in silviculture prescription. Tree breeding purpose requires measurement of a large number of samples. However, traditional methods of assessing wood properties are both time consuming and destructive, limiting the numbers of samples that can be processed, so new method would be needed to find. Near infrared spectroscopy (NIR) is an advanced spectroscopic tool for nondestructive evaluation of wood and it can quickly, accurately estimate the properties of increment core, solid wood or wood meal. The present paper reviews the advances in the research on the wood chemistry properties and anatomical properties using NIR.
		2009 Vol. 29 (04): 974-978 [Abstract] ( 2596 ) PDF (961 KB) ( 894 )

	979	Research on Raman Spectra of Heavy Water at High Pressure
		WANG Shi-xia, ZHENG Hai-fei^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0979-03
		The present work studies the Raman spectra of heavy water at pressure from 0.1 MPa to 800 MPa at ambient temperature using the method of diamond anvil cell and Raman spectrum technique. The result shows that the Raman peak of heavy water moves to lower frequency, and the linear relationship exists between Raman shift and pressure. There is no abrupt change in Raman shift, indicating that no phase transition occurs. Raman peak of heavy water is separated, corresponding to O—D vibration inside D₂O molecule as the higher frequency peak and to hydrogen bond among D₂O molecules as the lower frequency peak. Research on the characters of these two kinds of Raman spectra indicates that the area of lower frequency peak for hydrogen bond among D₂O molecules exhibits different changes at different pressures, and the influence of pressure on hydrogen bond among D₂O molecules is not unchangeable. The area of Raman spectra peak reflects the amount of vibrations which result in the Raman spectra peak, and the change in the area of Raman spectra peak reflects the change in the amount of special vibration. Because of the strong interaction between hydrogen bonds among D₂O molecules, the molecules of D₂O are apt to form the symmetrical dimensional structures of tetrahedron which consists of five molecules of D₂O. So the biggest area of Raman spectra peak represents the most stable structure that is the symmetrical dimensional structures of tetrahedron consisting of five molecules of D₂O. This result proves that the most stable structure is existent.
		2009 Vol. 29 (04): 979-981 [Abstract] ( 1550 ) PDF (1296 KB) ( 463 )

	982	Study on Temperature Dependence of Ultraviolet Absorption Cross Sections of Ammonia
		ZHOU Jie,LONG Zhi-yun,ZHAO Cui
		DOI: 10.3964/j.issn.1000-0593(2009)04-0982-04
		The present paper reports the study of the effects of temperature on the absorption cross-sections of ammonia in spectral region of 200-220 nm. By using a grating monochromator with high resolution, deuterium lamp, closed gas sample cell and gas compounding device, the photoabsorption cross sections of ammonia were measured at temperatures ranging from 308 to 397 K. The absorption spectrum of NH₃ consists of discrete bands superimposed on a continuous base. Results indicated that the cross sections at the peaks of the discrete bands decreased with the increase in temperature, which corresponded to the decrease in the population of vibrational and rotational transitions from the base level to higher excitation levels. The absorption cross section peaks decreased when the temperature increased from 308 to 397 K, with a relative drop of 46%. Another distinctive feature of ammonia absorption spectra in the above spectral regions was the quasiperiodic structure of absorption peaks, whose equal wavelength interval was 4 nm. Besides, absorption peak positions were not changed. Continuous absorption cross section decreased with the increase in temperature, and the variation gradient gradually decreased with wavelength red shift. A compensation calculation for temperature should be carried out in on-line measurement of concentration because of the greater variation rate of absorption cross sections of ammonia.
		2009 Vol. 29 (04): 982-985 [Abstract] ( 2387 ) PDF (1345 KB) ( 479 )

	986	Spectral Response Analysis of Offshore Thin Oil Slicks
		LU Ying-cheng¹,TIAN Qing-jiu¹,QI Xiao-ping²,WANG Jing-jing¹,WANG Xiang-cheng¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-0986-04
		Hyperspectral data of thin oil slicks have some spectral response characteristics, and an experiment of offshore thin oil slicks was designed to measure and analyze their reflectance by using ASD hyperspectral instrument. With the oil slick thickness changing, its color varied from rainbow sheen slick to fuchsine sheen slick, kelly sheen slick, aqua sheen slick, silver sheen slick and light sheen slick. The result suggested that different thin oil slicks have different characteristics, some thin oil slicks could change the reflectance at 440 nm which is the spectral absorption peak value of chlorophyll, and the best hyperspectral band to distinguish the different offshore thin oil slicks is located in the range between 350 and 440 nm. The reflectance of thin oil slicks is higher than that of seawater in the hyperspectral data range from 440 to 900 nm, but has no absorption or reflection characteristics compared to seawater’s. It could not be detected in the range of near infrared from 900 to 2 500 nm of offshore thin oil slicks because of high noise, low signal and influence of the atmosphere. Finally, the spectral response theory of offshore thin oil slicks was analyzed, and the results indicated that the interference phenomenon of offshore thin oil slicks could add reflected light and change the reflectance of seawater, hence, increase the feasibility of offshore oil slick remote sensing.
		2009 Vol. 29 (04): 986-989 [Abstract] ( 2374 ) PDF (1111 KB) ( 767 )

	990	Characterization of Photobleaching of Chromophoric Dissolved Organic Matter in Xiamen Bay by Excitation Emission Matrix Spectroscopy
		CHENG Yuan-yue, GUO Wei-dong^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0990-04
		Fluorescence excitation-emission matrix spectroscopy (EEMs) was applied to study the photobleaching of chromophoric dissolved organic matter (CDOM) in two surface water samples from Xiamen Bay exposed to natural sunlight between 10:00-16:00 during September 12-18, 2007. Both samples were collected from the lower and middle salinity areas in Jiulong Estuary of Xiamen Bay, and then filtered by 0.2 μm polycarbonate filters before the photobleaching incubation experiment. The results showed that three humic-like (C, A, M) and two protein-like (T, B) fluorescence peaks were observed in both samples, and the photobleaching didn’t cause obvious shift of the positions of these fluorescence peaks. The fluorescence intensities of the five peaks decreased with the increase in irradiation time and peak C demonstrated the fastest photobleaching rate. The photobleaching rate of low salinity sample was higher than that of middle salinity sample, consistent with its higher content of chromophores. All the five fluorophores could be distinguished into labile and refractory components based on their photobleaching dynamics. The increase in the intensity ratios of peak T and C (I_T/I_C) and peak T and C (I_A/I_C) after irradiation suggested that photobleaching can cause obvious change of the properties of dissolved organic matter in seawater, and it may partly account for the dominance of the protein-like fluorescence relative to the humic-like fluorescence in coastal area. The results suggest that EEMs was a useful tool to trace the transformation and removal processes of terrestrial CDOM entering the coastal regions.
		2009 Vol. 29 (04): 990-993 [Abstract] ( 2957 ) PDF (1741 KB) ( 616 )

	994	Spectroscopic Investigation of 3-Hydroxyflavone in Different Polarity and pH Values Solutions
		MA Li-na¹,NAN Jing-yu^1，2,WU Feng¹,TIAN Wei¹,CHEN Wen-ju¹,ZHANG Gui-lan^1*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0994-05
		The absorption and fluorescence spectra of 3-hydroxyflavone (3-HF) in different polar solvents were observed with UV-Vis spectrometer and fluorescence spectrometer, respectively. There are three absorption bands in the absorption spectra, wherein two absorption bands with absorption peak at 300 and 345 nm, respectively, are strong, and the other one with absorption peak at 415 nm is weak. When the samples in different polar solvents were excited by 345 nm light, there appeared two new fluorescence bands peaked at 400 and 526 nm, respectively. The fluorescence band at 400 nm is attributable to the emission from enol structure and its intensity increases with increasing the polarity of protic solvents; that at 526 nm is attributable to the emission from the isomer structure and its intensity decreases with increasing the polarity of protic solvents. The results show that the increase in the polarity of protic solvents prevents the formation of isomer. When the samples in different polar solvents were excited by 415 nm light, three new fluorescence bands peaked at 440, 471 and 515 nm have not been reported so far. In order to identify the three new fluorescence bands, we prepared the samples with pH value of 5.0, 4.0 and 3.0 through incorporating the different amounts of acetic acid into 3-HF solution. The fluorescence spectra in different pH value solution were observed under excitation of 415 nm light, and it was found that the intensity of two fluorescence bands in the region of shorter wavelength changes with pH values changing. For identifying the fluorescence band of 515 nm peak wavelength, we put sodium hydroxide into 3-HF in ethanol solution and prepared 3-HF samples with pH values of 8.0, 8.5, 9.0, and 10.0. When the samples were excited by the 415 nm light, it was found that two fluorescence bands in the region of shorter wavelength disappeared and the intensity of the fluorescence band of 515 nm was enhanced. Since in sodium hydroxide solution 3-HF forms anion easily, we ascribed the fluorescence band with 515 nm peak wavelength to the emission from the 3-HF anion.
		2009 Vol. 29 (04): 994-998 [Abstract] ( 1978 ) PDF (1892 KB) ( 604 )

	999	Study of the Interaction Mechanism between Brodifacoum and DNA by Spectroscopy
		DUAN Yun-qing^1,2,MIN Shun-geng^1*
		DOI: 10.3964/j.issn.1000-0593(2009)04-0999-05
		The interaction between brodifacoum (3-[3-(4′-bromophenyl-4)1,2,3,4-tetralin-10]-4-hydroxyl-coumarin) (BDF), an anticoagulant rodenticide, and calf thymus DNA (ct-DNA) was studied by UV spectrum and fluorescence spectrum. The results were summarized as follows: There was a hypochromic effect of low concentration ct-DNA on the UV spectra. The fluorescence quenching studies showed a regular decrease in the fluorescence intensity after addition of ct-DNA by the static quenching mode with a quenching constant (K_SV) of 1.21×10⁴ L·mol^-1 at 27 ℃. The BDF possibly bonded to ct-DNA mainly via Van der Waals forces by the corresponding thermodynamics parameter. K_I quenching experiment found that there was not obvious protection of ct-DNA to BDF. The fluorescence intensity of BDF/ct-DNA system changed with the variation in ionic strength. Quenching of ct-DNA on the fluorescence of BDF/β-CD inclusion complex was reduced in contrast with the free BDF, which showed that β-CD could provide BDF with protection. So the comprehensive interaction mode of BDF with ct-DNA may be the groove binding by the above results. It was indicated that there had been static-electro interaction between BDF and ct-DNA at the same time. The conjunct action of Van der Waals forces and electrostatic attraction favorably provide BDF bonding interaction in the groove of ct-DNA.
		2009 Vol. 29 (04): 999-1003 [Abstract] ( 1958 ) PDF (1595 KB) ( 612 )

	1004	Study of Cholesterol Concentration Based on Serum UV-Visible Absorption Spectrum
		ZHU Wei-hua^{1, 2},ZHAO Zhi-min^1*,GUO Xin¹,CHEN Hui¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1004-04
		In the present paper, UV-visible absorption spectrum and neural network theory were used for the analysis of cholesterol concentration. Experimental investigation shows that the absorption spectrum has the following characteristics in the wave band of 350-600 nm: (1) There is a stronger absorption peak at 416 nm for the test sample with different cholesterol concentration; (2) There is a shoulder peak between 450 and 500 nm, whose central wavelength is 460 nm; (3) There is a weaker peak at 578 nm; (4) Absorption spectrum’s shape of different cholesterol concentration is different obviously. The absorption spectrum of serum is the synthesis result of cholesterol and other components (such as sugar), and the information is contained at each wavelength. There is no significant correlation between absorbance and cholesterol content at 416 nm, showing a random relation, so whether cholesterol content is abnormal is not determined by the absorbance peak at 416 nm. Based on the evident correlation between serum absorption spectrum and cholesterol concentration in the wave band of 455-475 nm, a neural network model was built to predict the cholesterol concentration. The correlation coefficient between predicted cholesterol content output A and objectives T reaches 0.968, which can be regarded as better prediction, and it provides a spectra test method of cholesterol concentration.
		2009 Vol. 29 (04): 1004-1007 [Abstract] ( 463 ) PDF (1293 KB) ( 797 )

	1008	Multispectral Imaging System for the Plant Diseases and Insect Pests Diagnosis
		FENG Jie^{1, 2},LIAO Ning-fang¹,LIANG Min-yong¹,ZHAO Bo²,DAI Zhi-fu³
		DOI: 10.3964/j.issn.1000-0593(2009)04-1008-05
		For a reliable diagnosis of plant diseases and insect pests, it is very important to reproduce the original color of the object. But it is not certain by conventional color imaging systems. Multispectral imaging techniques are capable of providing additional useful spectral information of common pathological samples using image acquisition. The authors present a multispectral imaging system for the diagnosis. This system uses 16 narrow-band filters, a monochrome CCD camera, and standard illumination environment. Spectral match angle and color difference can be obtained through measurements and analysis of 8 Macbeth color patch using PR-715 spectraScan and multispectral imaging system. In addition, the color image and spectral reflectance of cucumber diseased leaves were reproduced using the multispectral imaging system. In the experiment, it was confirmed that the system realized good accuracy in the color reproduction and spectral reflectance reproduction from a limited number of color bands.
		2009 Vol. 29 (04): 1008-1012 [Abstract] ( 2502 ) PDF (1640 KB) ( 716 )

	1013	Study on No-Load Running-in Wear of Power-Shift Steering Transmission Based on Oil Spectrum Analysis
		LI He-yan, WANG Li-yong, MA Biao, ZHENG Chang-song, CHEN Man
		DOI: 10.3964/j.issn.1000-0593(2009)04-1013-05
		The running-in process wear rule of power-shift steering transmission can be studied conveniently and timely by using spectral analysis of oil. The configuration characteristic and the running-in mechanism of power-shift steering transmission were introduced firstly in the present paper. According to the discussion of running-in wear factors such as load, rotation speed, time, oil temperature, shifting number and original concentration of running-in oil, the wear calculation mode was established. The no-load running-in experiments of two power-shift steering transmissions were done, with different rotation speed and time. Based on the spectrum analysis of experiment result, the function relation between running-in wear and the oil original concentration and running-in speed was obtained, so the no-load running-in process wear calculation mode of power-shift steering transmission was confirmed. Through the experiment of other two power-shift steering transmissions, it was validated that the Cu element concentration can be calculated accurately by the wear calculation mode, which included the parameters such as oil original concentration, running-in speed, running-in time and gear shift alternate time. So the reference to evaluate the running-in quality and to constitute running-in regulations was gained.
		2009 Vol. 29 (04): 1013-1017 [Abstract] ( 671 ) PDF (1580 KB) ( 437 )

	1018	A Target-Highlighting Method in Multispectral Remote Sensing
		WANG Qin-jun¹,LIN Qi-zhong¹,LI Ming-xiao²,WANG Li-ming1, TIAN Qing-jiu³
		DOI: 10.3964/j.issn.1000-0593(2009)04-1018-05
		In order to highlight target in multispectral remote sensing and overcome the human error caused by threshold, a new method is proposed here. Image of target similarity is firstly calculated by spectral energy level matching (SEM) algorithm and as a band added to original image; Then, band normalization is performed on the new image to reduce the effects caused by the order of magnitude in different bands; Finally, a false color image that highlights the target is made by RGB composed of the first three bands (3, 2, 1) in MNF transformation. Results from the experiment of highlighting the main rock-type tuffaceous siltstone in Hatu area, Xinjiang province, China show that (1) the new method can highlight target for the increment of target’s information and weights during the process of transformation by adding a band representing target’s similarity to the original image. Therefore, it overcomes the shortcomings existing in the common transformations on space information-although different objects corresponding to special information space are distinguished, targets the authors wanted can not be highlighted yet; (2) The new method can distinguish more objects than original maximum noise fraction (MNF) transformation because it unifies the tone for the same object’s type by suppressing none target information using SEM method; (3) In addition to highlighting tuffaceous siltstone in the study area, the new method can be used widely in other fields such as soil, concrete, altered mineral etc.
		2009 Vol. 29 (04): 1018-1022 [Abstract] ( 1796 ) PDF (1702 KB) ( 538 )

	1023	Study on Spatial Variability of Soil Salinity Based on Spectral Indices and EM38 Readings
		WU Ya-kun^1，2,YANG Jin-song^1*,LI Xiao-ming¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1023-05
		Taking Feng-qiu County as a case of soil salinization widely existing in the semiarid region, the spatial variability of soil salinity was investigated by using remote sensing and EM (electromagnetic induction) technologies in the present study. Descriptive statistics was applied to soil salinity data interpreted from EM38 measurements using field sampling method. Spectral indices (soil index and plant index) were derived from 25-resolution Landsat TM image taken in April 2005, and proved to be significantly correlated with soil salinity interpreted by EM38 readings. Regression models were further established between the interpreted soil electrical conductivity and spectral indices (soil index and plant index), and spatial distribution patterns across the study area were finally mapped based on the above regression models. Results indicated that soil salinity at each soil layer is from 0.259 to 0.572 and exhibits the moderate spatial variability owing to compound impact of intrinsic and extrinsic factors. Spatial distribution maps of soil salinity were obtained with the application of plant index, soil index and EM38 measurements. It was shown that soil salinization, mainly located in the north and south of the study area, exhibited obvious trend effect. Salinity at surface soil was the greatest and showed the trend of a decrease at subsoil layer and then an increase at deep layer in the whole soil profile. The accuracy of the predictions was tested using 40 soil sampled points. The root mean square error (RMSE) of calibration for soil salinity in each layer was 0.094, 0.052, 0.071 and 0.067 ds·m^-1 respectively, showing that the precision is ideal. The change trends of RMSE were the same as soil salinity in soil profile. The trends indicated that soil salinity had effect on the salinity prediction by spectral indices, and showed better accuracy at low soil salinity.
		2009 Vol. 29 (04): 1023-1027 [Abstract] ( 494 ) PDF (1692 KB) ( 574 )

	1028	Analysis of Roller Ball Pen Water Ink by Capillary Electrophoresis with Photodiode Array Detector
		ZHAO Peng-cheng^{1, 3},WANG Yan-ji^{1, 2*}
		DOI: 10.3964/j.issn.1000-0593(2009)04-1028-04
		The analytical method of roller ball pen water inks was established by capillary electrophoresis with photodiode array (PDA) detector scanning in row. First test was for the type, concentration, pH value of buffer solution, as well as the impact of separation voltage of electrophoresis on the analysis results. The test results of PDA detector were studied by fused silica capillaries with diameters of 50, 75 and 100 nm. Experiments show that the capillary diameter is directly proportional to the intensity of light absorption. With ensuring the performance of separation as the premise, using 100 nm diameter of the capillary increased the absorption intensity of signal detection, so the absorption peak can be detected in the range of ultraviolet and visible light wavelength. After optimizing conditions, 20 mmol·L^-1 borate buffer at pH 8.5, 100 μm×40 cm fused silica capillary column, separation voltage 15 kV, PDA detector and scanning range 190-600 nm were adopted in experiment. Different roller ball pen inks can be analysed from characteristics of electrophoresis absorption in three-dimensional electrophoregrams with scanning in row in UV-visible wavelength range.
		2009 Vol. 29 (04): 1028-1031 [Abstract] ( 1791 ) PDF (1660 KB) ( 514 )

	1032	A Fluorescent Dye Method Based on Changes in Membrane Potential for Detecting PSP Toxins in Shellfish
		GAO Li-juan¹,YANG Wei-dong^{1, 2*},LIU Jie-sheng^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2009)04-1032-04
		We developed a method to screen paralytic shellfish poisoning (PSP) toxins based on their functional activity. The assay was a fluorimetric assay by detecting changes in the membrane potential of transitional cell carcinoma of the bladder cells T24 and involved several steps: stain of T24 cells with fluorescent dye bis-oxonol, cell depolarization with veratridine, and inhibition of depolarization with PSP toxins GTX2,3 or shellfish samples containing PSP toxins. Toxic potency of the samples was evaluated by measuring toxin-induced changes in membrane potential. Within 2-100 nmol·L^-1 of GTX2,3, veratridine-induced depolarization was shown to be inhibited by GTX2,3 in a dose-dependent manner. There was a linear correlation between the percentage of inhibition and toxin concentration. The PSP toxin value in shellfish obtained by this fluorescence assay was in concordance with that by the mouse bioassay, and with higher sensitivity. In conclusion, the fluorescent dye method based on changes in membrane potential was a rapid, specific, and reliable method for detecting paralytic shellfish poisoning toxins in shellfish.
		2009 Vol. 29 (04): 1032-1035 [Abstract] ( 2573 ) PDF (1185 KB) ( 439 )

	1036	Research on In-Situ Monitoring of SO₂ Concentration in the Flue Gases with DOAS Method Based on Algorithm Fusion
		TANG Guang-hua, XU Chuan-long, SHAO Li-tang, YANG Dao-ye, ZHOU Bin, WANG Shi-min
		DOI: 10.3964/j.issn.1000-0593(2009)04-1036-05
		Valuable achievements on differential optical absorption spectroscopy (DOAS) for monitoring atmospheric pollutants gas have been made in the past decades. Based on the idea of setting the threshold according to the maximum value, symbolized as OD′_m, of differential optical density, the algorithm of traditional DOAS was combined with the DOAS algorithm based on the kalman filtering to improve the detection limit without losing measurement accuracy in the present article. Two algorithms have different inversion accuracy at the same ratio of signal to noise and the problem of inversion accuracy was well resolved by combining two algorithms at short light path length. Theoretical and experimental research on the concentration measurement of SO₂ in the flue gases was carried out at the normal temperature and atmospheric pressure. The research results show that with the OD′_m less than 0.048 1, the measurement precision is very high for SO₂ with the improved DOAS algorithm. The measurement lower limit of SO₂ is less than 28.6 mg·m^-3 and the zero drift of the system is less than 2.9 mg·m^-3. If the OD′_m is between 0.048 1 and 0.927 2, the measurement precision is high with the traditional DOAS algorithm. However, if the OD′_m is more than 0.922, the errors of measurement results for both two DOAS algorithms are very large and the linearity correction must be performed.
		2009 Vol. 29 (04): 1036-1040 [Abstract] ( 2678 ) PDF (1566 KB) ( 551 )

	1041	Study on the Inclusion Behavior of Cucurbit [7] Uril with Methylene Blue by Spectrofluorometric Titrations
		YU Hua-peng, SUN Jun-yong, WU Lian, XU Hong-wei, WANG Lun, ZHOU Yun-you^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1041-04
		The characteristics of host-guest complexation between cucurbit [7] uril (CB7) and methylene blue (MB) were investigated by fluorescence spectrometry in acetate buffer solution at room temperature. It was found that the fluorescence intensity of methylene blue regularly increased upon the addition of cucurbit [7] uril accompanying with a blue-shift of the position of the emission maximum. The results indicate the formation of complex between CB7 and MB at a 1∶1 complex stoichiometry and the association constant was calculated by applying a deduced equation. ¹H NMR spectra were applied to to complement the fluorescence work to verify the formation of the complex. From the temperature dependence of the equilibrium constants, thermodynamics parametersH andS values were obtained, indicating an enthalpic driving force for complexation. The possible interaction mechanism was also discussed. This work may extend the application range of cucurbit [7] uril in biochemistry and pharmaceutical analysis.
		2009 Vol. 29 (04): 1041-1044 [Abstract] ( 1277 ) PDF (1585 KB) ( 610 )

	1045	IR/UV Spectroscopic Analysis of Gangliosides and Their Microstructures of Polymeric Aggregates Observed by AFM Technique
		WANG Hai-long¹,SUN Run-guang^1*,ZHANG Jing²,HAO Chang-chun¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1045-05
		Gangliosides, a kind of acid glycosphingolipid containing sialic acid, plays a very important physiological role in biomembrane as one of the important components of neurocyte membrane. They were extracted from bovine brain by the Folch method and purified by silica gel and DEAE-Sephadex A-25 column chromatograph. Their molecular functional groups and microstructures of polymeric aggregates were studied by infrared spectrum(IR), ultraviolet spectrum (UV)and atomic force microscope (AFM). The experimental results indicate that: 55.2 mg of Gls from 100 g of wet bovine brain had a certain purity, 62.84%. And their UV absorption spectra appeared at 195 nm, near to the results reported by other peoples. Compared with the IR spectra of sialic acid, the experimental results showed that the structures of the products had the units of sialic acid. In order to investigate the aggregate structures of ganglioside. AFM technique was applied in water, and the results showed that gangliosides can form spherical or ellipsoidal structures in water. It was determined that the size of polymeric aggregates of gangliosides varies between 55 and 380 nm, the average size is (148.9±66.7) nm; the height is between 1.0 and 5.0 nm, and the average height is (3.25±1.01) nm. The experimental results provide a theoretical and experimental basis for investigating biological activity and the exploitation and utilization of neural drugs.
		2009 Vol. 29 (04): 1045-1049 [Abstract] ( 822 ) PDF (1473 KB) ( 457 )

	1050	Sequential Selection of Representative Color Samples for Spectral Reflectance Reconstruction
		SHEN Hui-liang¹,ZHANG Zhe-chao¹,XIN John H²
		DOI: 10.3964/j.issn.1000-0593(2009)04-1050-06
		Spectral reflectance reconstruction, also referred to as spectral characterization, aims to recover accurate spectral reflectance of object surface by employing standard color charts. As there are always a large number of color samples on a color chart, spectral characterization becomes a time-consuming process for practical application. Some methods have been presented to selected representative color samples based on the redundancy of the colors on a chart. However, these methods only consider the distribution of spectral reflectance, and thus the selected colors may not be optimal for a specific imaging system. To deal with this problem, the present paper proposes a sequential method for the selection of most representative colors, which consists of two steps. In the first step, a part of representative colors are selected according to the minimization of mean spectral root-mean-square error, by assuming a virtual imaging system. The spectral responsivity of the real imaging system is then calculated based on these selected samples. In the second step, additional representative colors are selected based on the characteristics of the real imaging system. Two quite different systems, i.e., an 11-channel narrowband multispectral imaging system and a 3-channel broadband color scanner, were used in the experiment. It was shown that the proposed method significantly outperforms the previous method in terms of both spectral and colorimetric accuracy.
		2009 Vol. 29 (04): 1050-1055 [Abstract] ( 1340 ) PDF (1585 KB) ( 638 )

	1056	Extracting Black Soil Border in Heilongjiang Province Based on Spectral Angle Match Method
		ZHANG Xin-le^{1, 2},ZHANG Shu-wen^1*,LI Ying¹,LIU Huan-jun^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2009)04-1056-04
		As soils are generally covered by vegetation most time of a year, the spectral reflectance collected by remote sensing technique is from the mixture of soil and vegetation, so the classification precision based on remote sensing (RS) technique is unsatisfied. Under RS and geographic information systems (GIS) environment and with the help of buffer and overlay analysis methods, land use and soil maps were used to derive regions of interest (ROI) for RS supervised classification, which plus MODIS reflectance products were chosen to extract black soil border, with methods including spectral single match. The results showed that the black soil border in Heilongjiang province can be extracted with soil remote sensing method based on MODIS reflectance products, especially in the north part of black soil zone; the classification precision of spectral angel mapping method is the highest, but the classifying accuracy of other soils can not meet the need, because of vegetation covering and similar spectral characteristics; even for the same soil, black soil, the classifying accuracy has obvious spatial heterogeneity, in the north part of black soil zone in Heilongjiang province it is higher than in the south, which is because of spectral differences; as soil uncovering period in Northeastern China is relatively longer, high temporal resolution make MODIS images get the advantage over soil remote sensing classification; with the help of GIS, extracting ROIs by making the best of auxiliary data can improve the precision of soil classification; with the help of auxiliary information, such as topography and climate, the classification accuracy was enhanced significantly. As there are five main factors determining soil classes, much data of different types, such as DEM, terrain factors, climate (temperature, precipitation, etc.), parent material, vegetation map, and remote sensing images, were introduced to classify soils, so how to choose some of the data and quantify the weights of different data layers needs further study.
		2009 Vol. 29 (04): 1056-1059 [Abstract] ( 203 ) PDF (1247 KB) ( 515 )

	1060	Study on the Interaction of Genistein and Human Serum Albumin by Spectroscopic Method
		WU Qiu-hua, WANG Chun, ZHANG Zhi-heng, ZHANG Mei-yue, SONG Shuang-ju, WANG Zhi^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1060-04
		The interaction of genistein and human serum albumin (HSA) was investigated by fluorescence quenching spectra, synchronous fluorescence spectra and ultra-violet absorption spectra. The results showed that the quenching mechanism of the intrinsic fluorescence of HSA by genistein is due to the formation of genistein-HSA complex, resulting in a static quenching procedure. The binding constants (K_A) were 1.00×10⁶ (27 ℃), 1.66×10⁶ (37 ℃) and 5.25×10⁶ (47 ℃), respectively. According to the Frster theory of non-radiation energy transfer, the binding distances (r) were 2.59 nm (27 ℃), 2.65 nm (37 ℃) and 2.90 nm (47 ℃), respectively. The thermodynamic parameters showed that the binding power between genistein and HSA is mainly the electrostatic interaction. Synchronous spectrum was used to investigate the conformational change of HSA.
		2009 Vol. 29 (04): 1060-1063 [Abstract] ( 1295 ) PDF (1429 KB) ( 536 )

	1064	Normalized Difference Ratio Pigment Index for Estimating Chlorophyll and Cartenoid Contents of in Leaves of Rice
		WANG Fu-min¹,HUANG Jing-feng^1*,WANG Xiu-zhen²
		DOI: 10.3964/j.issn.1000-0593(2009)04-1064-05
		The objective of the present study was (1) to construct new pigment indices based on making full use of all the spectral bands in the 350-2 500 nm region and (2) to compare the performance of these new pigment indices with that of the published normalized difference ratio pigment indices in estimating pigment content of rice. The 252 leaves of rice were sampled at different development stages, representing a wide range of pigment contents. The hyperspectral reflectance of leaves of rice and the corresponding chlorophyll contents and carotenoid contents were measured. A rigorous method using all the wavebands in the range of 350-2 500 nm was applied to generate all possible two-band normalized difference pigment indices, and then the linear models between these indices and chlorophyll and carotenoid contents were constructed. Finally, the index with the highest determination coefficients was selected as the optimal index for corresponding pigment. The model was tested and these selected indices were compared with the published indices. The result indicated that the indices [(R_{1 729}-R₇₀₇)/(R_{1 729}＋R₇₀₇), (R_{1 554}-R₅₇₂)/(R_{1 554}＋R₅₇₂), (R_{1 729}-R₇₀₆)/(R_{1 729}＋R₇₀₆), (R_{1 536}-R₇₀₇)/(R_{1 536}＋R₇₀₇)] can relatively accurately estimate chlorophyll and cartenoid contents. The reference bands of the these new indices are mainly located in short wave infrared spectral region, which indicate that the spectral bands in the short wave infrared region are significant to construct normalized ratio pigment index., while the index bands of these indices are mostly in the region near 700 nm, and the longer bands of green region in the next place. Compared to the published indices, in general, the new indices give more accurate estimation of chlorophyll and carotenoid contents, or they behave the same as the best published index.
		2009 Vol. 29 (04): 1064-1068 [Abstract] ( 2990 ) PDF (1273 KB) ( 692 )

	1069	Investigation on Damage of Bovine Serum Albumin (BSA) Catalyzed by Nano-Sized Silicon Dioxide (SiO₂) under Ultrasonic Irradiation Using Spectral Methods
		WANG Jun^{1, 3},DING Na¹,ZHANG Zhao-hong²,GUO Ying³,WANG Shi-xian¹,XU Rui¹,ZHANG Xiang-dong¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1069-05
		The damage of bovine serum albumin (BSA) molecules under ultrasonic irradiation in the presence of nano-sized silicon dioxide (SiO₂) particles was studied by UV-Vis and fluorescence spectra. In addition, the influences of ultrasonic irradiation time, nano-sized SiO₂ addition amount, solution acidity (pH) and ultrasonic irradiation power on the damage of BSA molecules in aqueous solution were also detected. For BSA solution of 1.0×10^-5 mol·L^-1 at (37.0±0.2) ℃, the UV-Vis spectra of BSA solutions showed that the absorption peaks of BSA displayed obvious hyperchromic effect with the increase in some influence factors such as ultrasonic irradiation time, nano-sized SiO₂ addition amount, pH value and ultrasonic irradiation power. However, the fluorescence spectra of BSA solutions showed the phenomenon of fluorescence quenching with the increase in ultrasonic irradiation time, nano-sized SiO₂ addition amount, pH value and ultrasonic irradiation power. Moreover, the possible mechanism behind the damage of BSA molecule in the presence of nano-sized SiO₂ powders under ultrasonic irradiation was discussed. It was considered that the damage of BSA molecules was attributed to the formation of ·OH radicals resulting from the sonoluminescence and high-heat excitation of ultrasonic cavitation. The research results could be of great significance to using sonocatalytic method to treat tumour in clinic application and for developing nano-sized drug in the future.
		2009 Vol. 29 (04): 1069-1073 [Abstract] ( 1733 ) PDF (1631 KB) ( 468 )

	1074	Application of the Distributed and Parallel Computation in Spectroscopy Signal Processing
		CHEN Yong-ming, LIN Ping, BAO Yi-dan,HE Yong^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1074-04
		The distributed and parallel computation was introduced to spectroscopy signal processing. The reflection spectra of 4 different varieties of sugar including sucrose, xylitol, maltose and dextrose were measured with FI/IR-4100 Fourier infrared spectral equipment. Each type of sugar consisted of 39 samples. The distributed and parallel algorithm was executed on 2 computers with the same hardware and software systems. First, the distributed and parallel algorithm was used to read original spectral data from the text files generated by FT/IR-4100 device. Second, the data were preprocessed by distributed and parallel algorithm. The preprocessing methods include standard normalization to the maximum peak, Savizky-Golay smoothing denoising, etc. Third, search for the key discriminative wave numbers in mass spectrometry data was performed by distributed and parallel genetic algorithm (GA). At the end, the discriminative features of 24 wave numbers extracted by GA were applied as BP neural network inputs and a 3-layer neural network was built up. The computing results generated by distributed and parallel algorithm are the same as the serial computing results generated by single personal computer. The processing efficiency using 2 personal computers is 33.6% higher than that of serial computation. So the paper presents a creative method for the complex scientific computation and enhancing the computing efficiency in spectroscopy signal processing.
		2009 Vol. 29 (04): 1074-1077 [Abstract] ( 2502 ) PDF (1243 KB) ( 629 )

	1078	Improved Euler Algorithm for Trend Forecast Model and Its Application to Oil Spectrum Analysis
		ZHENG Chang-song,MA Biao
		DOI: 10.3964/j.issn.1000-0593(2009)04-1078-05
		The oil atomic spectrometric analysis technology is one of the most important methods for fault diagnosis and state monitoring of large machine equipment. The gray method is preponderant in the trend forecast at the same time. With the use of oil atomic spectrometric analysis result and combining the gray forecast theory, the present paper established a gray forecast model of the Fe/Cu concentration trend in the power-shift steering transmission. Aiming at the shortage of the gray method used in the trend forecast, the improved Euler algorithm was put forward for the first time to resolve the problem of the gray model and avoid the non-precision that the old gray model’s forecast value depends on the first test value. This new method can make the forecast value more precision as shown in the example. Combined with the threshold value of the oil atomic spectrometric analysis, the new method was applied on the Fe/Cu concentration forecast and the premonition of fault information was obtained. So we can take steps to prevent the fault and this algorithm can be popularized to the state monitoring in the industry.
		2009 Vol. 29 (04): 1078-1082 [Abstract] ( 1756 ) PDF (1166 KB) ( 368 )

	1083	Spectral Analysis of Crude Tea Polysaccharides Extracted by Different Methods
		CHEN Xiao-qiang¹,YE Yang¹,CHENG Hao¹,ZHOU Ying²,YANG Ya-jun¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1083-05
		Crude tea polysaccharides (CTPS) were extracted from low-grade green tea, separately named CTPS-Ⅰ by water-boiling extraction method and CTPS-Ⅱ by compound enzyme method, and CTPS-Ⅲ extracted from tea leaves by compound enzyme method. The content of saccharide and protein of them were determined. The homogeneity distribution and mass ratio of polysaccharides constituent were analyzed using HPGPC-ELSD, and there were 5, 4 and 7 kinds of homogeneous constituents accordingly in CTPS-Ⅰ, Ⅱ and Ⅲ. There were six kinds of monosaccharide residues (rhamnose, arabinose, xylose, mannose, glucose and galatose) in CTPS confirmed by means of GC-MS. UV spectra discovered that CTPS-Ⅰ had a distinctive peak absorption at 257 nm, while CTPS-Ⅱ showed a shoulder-shaped peak absorption in 240-270 nm, and CTPS-Ⅲ exhibited a weak double wave-shaped absorption in 250-360 nm. In addition, the mass ratio of free protein and nucleic acid in CTPS was determined. IR revealed the characteristics of tea polysaccharides complex including related protein and nucleic acid. CD spectra showed that their conformations in water were different.
		2009 Vol. 29 (04): 1083-1087 [Abstract] ( 2133 ) PDF (1438 KB) ( 686 )

	1088	Comparison between PARAFAC and SWATLD Based on Four Components Simultaneous Determination
		DENG Hu,SHANG Li-ping
		DOI: 10.3964/j.issn.1000-0593(2009)04-1088-05
		Catechol and hydroquinone are toxic substances, while tyrosine and tryptophan are luminescent substances in natural amino acids. Because of spectra overlap of the four components, it is difficult to detect quantity directly with conventional methods. A simple and reproducible method which provides simultaneous determination of catechol, hydroquinone, tyrosine and tryptophan in the same samples is presented in the present paper. The method combined excitation-emission fluorescence spectra with PARAFAC and SWATLD. At the same time, the differences between the two methods in qualitative determination and quantitative determination are compared. When PARAFAC was applied and the component number was set to 4, the obtained recoveries of hydroquinone, catechol, tyrosine and tryptophan were (101.2±2.7)%, (99.3±3.0)%, (98.7±4.5)% and (101.6±4.7)%, respectively. Meanwhile, the recoveries of the four components were (109.0±8.0)%, (91.3±11)%, (99.7±13)% and (98.1±11)% respectively with SWATLD method. The satisfactory results showed that the two methods can be used to determinate solution containing four components directly. By comparing the algorithms, PARAFAC algorithm was found to be more advantageous than SWATLD algorithm.
		2009 Vol. 29 (04): 1088-1092 [Abstract] ( 1325 ) PDF (1646 KB) ( 416 )

	1093	Advances in Determination of Hydroxyl and Superoxide Radicals
		ZHANG Hao, REN Fa-zheng^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1093-07
		Metabolism is essential for the survival of cells with the production of free radicals. There is increasing evidence for the involvement of such species in a variety of normal in vivo regulatory systems. When an excess of free radicals is formed, they cause destructive and lethal cellular effects by oxidizing membrane lipids, cellular proteins, DNA and enzymes. In addition, it has been recognized that oxidative stress plays a significant role in a number of diseases. For example, many studies have shown increased oxidative damage to all the major classes of biomolecules in the brains of Alzheimer’s patients. Furthermore, cancer is probably a consequence of oxidative DNA damage. Therefore, the determination methods of free radical are very important and necessary. The development of determination techniques of hydroxyl and superoxide radicals was reviewed with 62 references in the present paper, the techniques of determination mainly include spectrophotometry, fluorophotometry, chemiluminescence, and electron spin resonance, and their advantages and disadvantages were evaluated.
		2009 Vol. 29 (04): 1093-1099 [Abstract] ( 1742 ) PDF (1123 KB) ( 914 )

	1100	Determination of Life Elements in Hair and Urine with Brick-Tea Fluorosis in Inner Mongolia by ICP-OES
		HOU Kun^{1, 2},JI Hong-bing¹,LI Hai-rong^2*,WANG Li-zhen²,WANG Wu-yi²,LIU Qing-bin³,WANG Ge³,LIU Xue-hui³
		DOI: 10.3964/j.issn.1000-0593(2009)04-1100-04
		In brick-tea fluorosis affected areas XiLinHot city in Inner Mongolia, herdsmen who like drinking a large amount of brick tea in everyday life and Han habitants rarely drinking brick tea as control group were enrolled, and their hair and urine were sampled. The concentrations of Ca, Mg, K, Al, P, Cu, Zn and Fe in hair and urine were detected using ICP-OES. The RSDs of the method were between 2.32% and 8.03%, and the analytical results of the hair reference samples were consistent with the certified values. The results showed that the contents of Al, Mg and K in hair, and contents of Al and Ca in urine of herdsmen who were accustomed to drinking brick tea were obviously higher than those in control group (P＜0.05), while the contents of K in urine of herdsmen who were accustomed to drinking brick tea was lower than those in control group (P＜0.05), and other elements did not have statistic significance (P＞0.05). Chronically drinking brick tea probably brings metabolic disorder of Ca and Al in human body, and the interaction mechanism of life elements in brick-tea fluorosis should be further studied.
		2009 Vol. 29 (04): 1100-1103 [Abstract] ( 2578 ) PDF (940 KB) ( 523 )

	1104	Application of ICP-AES to Detecting Nutrients in Grain of Wheat Core Collection of China
		SHI Rong-li¹,ZOU Chun-qin^1*,RUI Yu-kui¹,ZHANG Xue-yong²,XIA Xiao-ping¹,ZHANG Fu-suo¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1104-04
		Deficiency of micronutrients, especially iron and zinc, has been a serious malnutrition problem worldwide in human health. Increasing Fe and Zn concentrations in grains by means of plant breeding is a sustainable, effective and important way to improve human mineral nutrition and health. However, little information on grain Fe and Zn concentrations in Chinese wheat genotypes is available. Therefore, to determine the nutrients status especially these of micronutrients in wheat grain is necessary and very useful. Two hundred sixty two genotypes were selected from the wheat mini-core collections, which contained 23090 wheat genotypes in China and represented 72.2% of total genetic variation. All 262 genotypes were grown in soils of similar geographical and climate location in order to minimize the environmental effect. After harvesting, the grains were washed with deionized water and dried (around 70 ℃), then digested in HNO₃ solution using a microwave accelerating reaction system (MARS). Nutrient concentrations in stock solution were analyzed by inductively coupled plasma atomic emission spectrometry (ICP-AES). Remarkable genetic variations among grain nutrient concentrations (Fe, Mn, Cu, Zn, Mg, Ca, K and P ) in the tested genotypes were detected. The concentrations of Fe, Zn, Mn, Cu, Ca, Mg, K and P in wheat grain were in the ranges of 34.2-61.2, 26.3-76.0, 20.9-56.7, 3.4-9.8, 290-976, 1 129-2 210 mg·kg^-1; 0.34%-0.85% and 0.296%-0.580%, respectively. The corresponding average values were 45.1, 50.2, 37.9, 6.5, 515, 1 772 mg·kg^-1,0.55% and 0.451%, respectively. Significant positive correlations between micronutrients (Fe, Mn, Zn, and Cu) in wheat grains were detected, and the correlation coefficients were 0.395^ (Fe and Mn), 0.424^ (Fe and Zn), 0.574 (Fe and Cu), and 0.474^ (Mn and Cu), respectively. However, no significant difference was found in grain nutrient concentrations between spring-wheat and winter-wheat genotypes. This study provides valuable and important information for breeding wheat genotypes which are enriched with minerals in grains, especially Fe and Zn.
		2009 Vol. 29 (04): 1104-1107 [Abstract] ( 236 ) PDF (943 KB) ( 716 )

	1108	Determination of Trace Elements in Mongolian Medicine Susi-12 Curing Cholecystitis and Gallstone Disease by ICP-AES
		E Er-Deng-sang¹,HANG Gai-ba-te-re²,BA Tu¹,DUAN Yi-wen¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1108-04
		Trace elements in Mongolian medicine Susi-12 for cholecystitis and gallstones were analyzed in order to discuss the relation between Susi-12’s drug action and the trace elements. The analysis was carried out using the pressure seal microwave digestion and inductive coupled plasma atomic emission spectrometry (ICP-AES). It was found that the medicine contained great amount of trace elements, especially human-body-needed trace elements, such as Ca, Al, Mg, Fe, Sr, Mn, Zn, Cu etc., whereas heavy metals are very little, e.g. the contents of Pb, Cb, As etc are below the country’s limit. The recoveries of standard addition are in the range of 94.63%-106.40%. The relative standard deviation RSD≤3.35%, and detection limit is ≤0.009 mg·L^-1. It is concluded that Mongolian medicine Susi-12 can effectively control and cure cholecystitis and gallstones, and the effective rate reaches 91.2% to 100%. So the trace elements in Susi-12 must have a close connection with the drug action.
		2009 Vol. 29 (04): 1108-1111 [Abstract] ( 1216 ) PDF (954 KB) ( 489 )

	1112	*Analysis of Macroelements and Microelements in Chinese Traditional Medicine Plumbago Zeylanica* Linn by ICP-AES**
		TAN Ming-xiong^{1, 2, 3},CHEN Zhen-feng^2,WANG Heng-shan²,LIU Yan-cheng²,LIANG Hong^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2009)04-1112-03
		Twenty macroelements and microelements were analyzed in the leaves, stems and roots of Plumbago zeylanica Linn from Guangxi by inductively coupled plasma atomic emission spectrometry (ICP-AES). Four macroelements, Na, K, Ca and Mg, five essential microelements, Zn, Fe, Mn, Cr and Co, and eight other elements, Mo, Sb, Bi, Cd, Sr, Pb, Cd and As, were detected in all samples. The contents of the elements are varied in different parts of P.zeylanica. For all the determined elements, the contents in the leaves and roots are relatively higher as compared to those in the stems and it is in concurrence with the active parts of Plumbago zeylanica for the cure of antioxidant and anticancer drugs, as the elements Na，K，Ca，Zn，Fe，Mn，Sr，Cu and Co are the highest in leaves, followed by those is in roots. Many anticancer herbs usually show comparatively rich Zn，Mn, Fe, as well as Cr，Sr and Cu. Plumbago zeylanica exists with abundant Zn，Mn and Fe and a certain amount of Cr，Sr and Cu. The results would provide useful data for discussing the relationship between the elements in Chinese traditional medicine and its activities, and could be useful for the exploitation of the Chinese traditional medicinal resources.
		2009 Vol. 29 (04): 1112-1114 [Abstract] ( 2122 ) PDF (1181 KB) ( 447 )

	1115	Determination of Thirty Trace Elements in Human Plasma by Microwave Digestion-ICP-MS
		ZHANG Lin-lin¹,XING Xiao-ru²,WU Guo-ping³,WEI Fu-sheng^3*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1115-04
		A method for determining 30 trace elements in human plasma was developed by using microwave digestion-ICP-MS. Under the optimized conditions the samples were analyzed by ICP-MS after microwave digestion. The double internal standard elements Rh and Re were used to compensate for matrix suppression effect and sensitivity drift. The analytical results showed that the detection limits of the 30 trace elements were in the range of 0.01-0.68 ng·mL^-1. The recovery rates of the studied elements were from 85% to 119%. The relative standard deviations (RSD) of the method were in the range of 1.7%-10.2%. The national standard reference material GBW 09131 was analyzed by the described method and the measured element values accorded with the standard values. It is indicated that the method is rapid, simple and accurate for determining trace elements in human plasma.
		2009 Vol. 29 (04): 1115-1118 [Abstract] ( 2362 ) PDF (931 KB) ( 594 )

	1119	Effects of Mepiquat Chloride on Inorganic Elements Contents in Seeds of Transgenic Insect-Resistant Cotton Determined by ICP-MS
		FAN Xi-feng, TIAN Xiao-li, LI Zhao-hu, HE Zhong-pei, ZHAI Zhi-xi, DUAN Liu-sheng^*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1119-04
		To evaluate the effects of a worldwide used plant growth regulator mepiquat chloride on the nutrition value and safety of seeds of transgenic Bt cotton, inorganic element components and contents in seeds of Bt cotton (Gossypium hirsutum cv. Guoxin 6) under field condition were determined using ICP-MS. In Bt cotton seeds, 54 kinds of inorganic elements were identified by ICP-MS, and 5 kinds of major elements, K, P, Mg, Ca and Na, were in range from 138.3 to 13 835.1 μg·g^-1. The contents of 14 kinds of microelements were determined as in descending order of Si, B, Mn, Sr, Zn, Ni, Cu, Mo, Fe, Co, Se, V, I and Sn, in the range from 14.2 ng·g^-1 to 81.7 μg·g^-1. Five kinds of heavy metals were detected with the contents from 0.14 to 55.3 ng·g^-1,and their order from high to low is Pb, Cd, Cr, As and Hg. Other 30 kinds of elements were also detected in Bt cotton seeds by ICP-MS, including Rb, Be, La, Ce, Pr, Nd, Sm, Gd, Ge, Rh, Ag, Sb, W, U and Y. Foliar application of mepiquat chloride significantly reduced the contents of Ca, Fe, Si, Mn, Co, Ni, Cu and I, and remarkably decreased heavy metals Pb, Cd and Cr in the cotton seeds, by 68%, 67% and 54% respectively. While mepiquat chloride did not change the contents of most major and micro elements, it heightened 8 kinds, but lowered 7 kinds of the other 30 trace elements. This research indicated that mepiquat chloride application strengthened the security regarding the cotton seed as the material of cooking oil.
		2009 Vol. 29 (04): 1119-1122 [Abstract] ( 970 ) PDF (946 KB) ( 604 )

	1123	Separation and Preconcentration by Extraction and Anti-Extraction-Determination of Trace Te in Complex Geological Samples by Hydride Generation Atomic Fluorescence Spectrometry
		XIAO Fan¹,LIU Jin-wei¹,WANG Yong-qing²,LIU Qing-xue¹,LI Na¹,MENG Zhi-xin¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1123-04
		A method for the determination of trace Te in the complex geological samples by hydride generation atomic fluorescence spectrometry using MIBK as extraction reagent was developed. The extraction ability of Te(Ⅳ) in the HCl-NaBr-MIBK system and the anti-extraction behavior of Te(Ⅳ) in the HCl-KMnO₄-MIBK system were studied. Under the optimum extraction condition of 3.6 mol·L^-1 HCl-100 g·L^-1 NaBr, Te(Ⅳ) was extracted completely by MIBK, Te(Ⅳ) in the MIBK phase was oxidized to Te(Ⅵ) with HCl-KMnO₄, Te(Ⅵ) in the MIBK phase was anti-extracted using water, then the interference elements such as Au, Ag, Pt, Pd, Cu, Pb, Co, Ni, Cd, As, Sb, Bi, Hg, Tl and Se for the determination of Te by hydride generation atomic fluorescence spectrometry were eliminated successfully. The detection limit of Te was 1.14×10^-4 μg·g^-1,and the relative standard deviations of Te was 6.84%. The method was applied to complicated geological samples.
		2009 Vol. 29 (04): 1123-1126 [Abstract] ( 1202 ) PDF (1170 KB) ( 534 )

	1127	Application of Solid Sampling Graphite Furnace Atomic Absorption Spectrophotometry to Mensuration of Brain Iron Content in Rats
		ZHANG Nan¹,SHENG Qing-hai²,SHI Zhen-hua¹,ZHANG Zhi-guo²,DUAN Xiang-lin¹,CHANG Yan-zhong^1*
		DOI: 10.3964/j.issn.1000-0593(2009)04-1127-04
		In the present study, the authors performed the solid sampling and detected the iron levels in cortex, hippocampus and striatum of rat brain by GFAAS. The authors’ results showed that there are no remarkable difference between the data obtained by solid sampling graphite furnace atomic absorption and liquid sampling graphite furnace atomic absorption. Compared to liquid sampling graphite furnace atomic absorption, the sample pre-treatment stage was obviously simplified, the cost was reduced significantly, and the time was shortened significantly in the solid sampling GFAAS. This study will be beneficial to the mensuration of iron content in micro-tissue of animal by solid sampling GFASS.
		2009 Vol. 29 (04): 1127-1130 [Abstract] ( 2382 ) PDF (1083 KB) ( 458 )

	1131	Kernel Regression Application in Estimating Stellar Fundamental Parameters
		ZHANG Jian-nan¹,WU Fu-chao²,LUO A-li¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1131-06
		The three fundamental parameters of stellar atmosphere, i.e. the effective temperature, the surface gravity, and the metallic, determine the continuum and spectral lines in the stellar spectrum. With the development of the modern telescopes such as SDSS, LAMOST projects, the great voluminous spectra demand to explore automatic celestial spectral analysis methods. It is most significant for Galaxy research to develop automatic methods determining the fundamental parameters from stellar spectra data. Two non-linear regression algorithms, kernel least squared regression (KLSR) and kernel PCA regression (KPCR), are proposed for estimating the three parameters in the present paper. The linear regression models, LSR and PCR, are extended to non-linear regression by using a kernel function for the stellar parameter estimation from spectra. Extensive experiments on low resolution spectra data show: (1) KLSR and KPCR methods realize the regression from spectrum to the effective temperature and gravity. KLSR is sensitive to the noise while KPCR is robust than the former. (2) For the effective temperature estimation, the two algorithms perform similarly; and for the gravity and metallic estimation, the KPCR is superior to the KLSR and the NPR(Non-parameter regression); (3) KLSR and KPCR methods are simple and efficient for the stellar spectral parameter estimation.
		2009 Vol. 29 (04): 1131-1136 [Abstract] ( 2428 ) PDF (1973 KB) ( 586 )

	1137	Research on Two-Stage Fuzzy Clustering Method for Spectrum Data Based on PSO
		CAI Jiang-hui,ZHANG Ji-fu^*,ZHAO Xu-jun
		DOI: 10.3964/j.issn.1000-0593(2009)04-1137-05
		A novel high-dimensional clustering algorithm is proposed. On the basis of this, a two-stage fuzzy clustering approach, named TSPFCM, is presented. On the first stage, data is clustered by a new clustering method. On the second stage, the result of the first stage is taken as the initial cluster centers, and PSO mechanism is inducted into fuzzy clustering to solve the locality and the sensitiveness of the initial condition of Fuzzy C-means Clustering. The running results of the system show that it is feasible and valuable to apply this method to mining the clustering in spectrum data.
		2009 Vol. 29 (04): 1137-1141 [Abstract] ( 1237 ) PDF (1528 KB) ( 543 )

	1142	The Investigation and Simulation of a Novel Spatially Modulated Micro-Fourier Transform Spectrometer
		KONG Yan-mei^1,2,LIANG Jing-qiu^1*,WANG Bo^1,2,LIANG Zhong-zhu¹,XU Da-wei^1,2,ZHANG Jun³
		DOI: 10.3964/j.issn.1000-0593(2009)04-1142-05
		Fourier transform spectrometer (FTS) is widely used in science and industry for the measurement of electromagnetic spectra，and it’s trend of minimization is particularly pronounced in many applications. A novel model of a micro FTS with no moving parts is proposed and analyzed. During the analysis, the gradients which mainly introduce the phase error are accounted for in details. Based on these assumptions and the improved Mertz phase correcting method, the spectrum of the signal is simulated, given the real extended light source. The resolution can reach 3.43 nm@800 nm, with high SNR limiting resolving ability 6.8 dB. The novel micro FTS could be made by MOEMS technology, which has some advantages over the conventional micro dispersive spectrometers based on the traditional technology, and this method can also afford some new concepts on the design of spectrometers. The research work is underway to demonstrate the theory.
		2009 Vol. 29 (04): 1142-1146 [Abstract] ( 562 ) PDF (1606 KB) ( 753 )

	1147	Intercross Cascaded Dual-Layer Resonant Sub-Wavelength Gratings
		CHEN Yong-li^1,2,ZHAO Da-zun¹
		DOI: 10.3964/j.issn.1000-0593(2009)04-1147-04
		A security grating structure, intercross cascaded dual-layer resonant sub-wavelength grating structure, is presented. It can broaden the resonant wavelength width of resonant sub-wavelength gratings and obtain the better optical variable effect. The full-width-at-half-maximum(FWHM) broadening mechanism of security grating structures is analyzed .The FWHM is dependent on the energy coupled into the grating waveguide layer. The grating structure parameters are optimized and designed. The resonance performance and grating fabrication tolerances are also studied numerically using the vector diffraction theory (the rigorous coupled wave theory). Simulation results indicate that the value of the spectral resonant peak for the security grating structure is not decreased as the incident angle increases or decreases and the maximum FWHM of different depth of grating grooves is about seven times that of the basic resonant grating structure. The resonant dual grating waveguide structure is a kind of security grating configuration with the potential to achieve higher industry application value and its resonance performance is not sensitive to manufacture errors.
		2009 Vol. 29 (04): 1147-1150 [Abstract] ( 1191 ) PDF (1633 KB) ( 394 )

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