SPECTROSCOPY AND SPECTRAL ANALYSIS

News

Forgot your password?

Enter your e-mail address to receive an e-mail with your account information.

Journal Online

Archive

Links

	CAST

	CNCOS

	CNKI

	WanfangDATA

	CHEMSOC

	sinospectroscopy

	CPS

Quick Search

Adv Search

2007 Vol. 27, No. 09 Published: 2007-09-26

光谱学与光谱分析

	1665	Study on the THz Spectra of Tyrosine
		MA Shi-hua, SHI Yu-lei, YAN Wei, XU Xin-long, YANG Yu-ping, WANG Li^*
		Terahertz time-domain spectroscopy (TDS) has been used to study the spectral properties of tyrosine at room temperature. The terahertz spectra of sample were observed. The result shows that the sample has the spectral response in terahertz spectral range, a fact demonstrating that the terahertz spectra of tyrosine could be used to study the molecular structure and vibration of sample. Two absorption peaks were found at 0.23 and 2.46 THz respectively for the first time. The corresponding theoretical spectra were given by using HF and DFT methods for both tyrosine monomer and dimmer. The difference between the theoretical and experimental results was analyzed in detail. The origin of the observed absorption at 0.23 THz was assigned to the wagging of the two tyrosine molecules linked by hydrogen bond.
		2007 Vol. 27 (09): 1665-1668 [Abstract] ( 1223 ) PDF (1680 KB) ( 675 )

	1669	Using the Statistic Preprocessing Method to Raise the Measurement Accuracy of Dynamic Spectrum
		LI Gang¹,LIU Yu-liang^1,2,LIN Ling¹,WANG Yan^1,3
		The development of the non-invasive measurement of blood compositions by near-infrared spectroscopy has attracted significant interests in recent years. But it has not yet been applied to the clinical field except the oximeter. The most important and difficult problem is that the instrument accuracy does not meet the requirement of the non-invasive measurement of blood compositions due to the effect of the individual discrepancy and complicated measurement conditions. So how to reach the instrument accuracy required is its key part. Based on the dynamic spectroscopy, a new non-invasive measurement method of blood compositions is presented, where the measurement accuracy is raised through the outlier eliminating and the assembly average of several measurement results. It has been proved by the experiment that the measurement accuracy can be raised by the outlier eliminating and the assembly average of several measurement results.
		2007 Vol. 27 (09): 1669-1672 [Abstract] ( 1154 ) PDF (1624 KB) ( 788 )

	1673	Study of Thermal Diffusivity by Piezoelectric Photoacoustic Phase
		HU Bin,CHEN Da,SU Qing-de^*
		Piezoelectric photoacoustic phase information can be applied to determine the thermal diffusivity of sample. In actual experiments, the results of phase versus modulation frequency deviate from the theory heavily because of the disturbance of instrumental contribution from the whole detecting system. Considering that the instrumental contribution of phase from PA cell can be ignored reasonably, there will be no additional phase contribution after the piezoelectric PA cell has been replaced by microphone PA cell while the other experimental conditions have been kept invariable. Based on this hypothesis, the conventional photoacoustic cell with microphone is employed to determine the instrumental contribution of whole detecting system by studying the PA phase of solid rare earth complexes. The instrumental contribution of phase was considered to be constant for that the same detecting system was used in both the microphone PA method and piezoelectric PA method. This method has been proved by detecting the thermal diffusivity of aluminium sample. The corrected results of experiments match the theory well, showing that the method of subtracting the instrumental contribution from the original experimental phase can be applied reasonably in relevant chopping frequency region. While in lower chopping frequency region, there will be a little deviation from the theoretical results. The method has been also employed to the photoacoustic detection of leaf, and the thermal diffusivity of leaf can be acquired by studying the piezoelectric photoacoustic phase.
		2007 Vol. 27 (09): 1673-1675 [Abstract] ( 1986 ) PDF (1185 KB) ( 443 )

	1676	Calibration of the Detection Performance for Hyperspectral Imager
		XU Qiang^1,3,JIN Wei-qi¹,FU Lian-qiu²
		As an image-spectrum merging technology, hyperspectral imaging has been used in battlefield reconnaissance rapidly. The calibration of hyperspectral imager is a process that corrects itself’s output. An UV/Vis/NIR hyperspectral military detection system based on BTCCD and concave grating parts is analyzed, and it’s spectral resolution is 3.3 nm. Some calibration and evaluation methods are discussed for hyperspectral imaging system which operates at 0.25-1.1 mm waveband. Image quality assessment based on an uniform radiation source with target, spectral quality assessment based on laser and Hg lamp，and radiation performance calibration based on high accuracy standard are researched detailedly. After several steps of radiation calibration and spectral fidelity verification, the reflective curve which represents the objective spectral character was obtained, satisfying the requirement of 0.2 mrad spatial resolution and ±0.5％ dispersive linearity. Finally, satisfactory results were obtained with these methods in a military detection system.
		2007 Vol. 27 (09): 1676-1679 [Abstract] ( 585 ) PDF (1612 KB) ( 582 )

	1680	Study on the Emission Spectra of N₂ Plasma Jet by AC Glow Discharge
		ZHU Yi, SUN Dian-ping, YANG Xiao-hua, CHEN Yang-qin^*
		N₂ plasma jet was generated from a nozzle using an AC discharge at about 15 kV. The emission spectra were obtained by using the concentration modulation spectroscopic technique. The dependence of spectral signal on the discharge current was discussed. It was found that the vibrational temperature decreased first and then increased downstream from the nozzle by measuring the emission spectra from different axial positions in the jet. A phenomenological model was presented to explain the vibrational temperature variation with different axial position z. The N⁺₂/ N₂ ratio varied along the axis and the property of discharge in the experimental system was studied.
		2007 Vol. 27 (09): 1680-1684 [Abstract] ( 1197 ) PDF (1715 KB) ( 568 )

	1685	Spectrum Analysis of Modulated Polarized Light in Phase Retardation Measurement
		FAN Ling^1,2,SONG Fei-jun³
		The fundamental principle of light modulation is presented. The characteristic of light modulator is discussed both in time and frequency domains. Fourier transform spectrum of the intensity shows that the intensity distribution of outgoing light is the superposition of a series of Dirac functions in the frequency domain. The corresponding intensity distribution curves are also presented. A novel method for phase retardation measurement based on modulated polarized light is introduced. The spectrum analysis indicates that the perfect compensation condition can be satisfied only when the odd frequency components disappear. Under this condition, the phase retardation to be detected can be directly obtained from the compensation quantity of the compensator. This method is a direct measurement which is clearly superior to those indirect methods, especially in terms of high accuracy and low error. Based on the theoretical analysis, relevant experiments were conducted. And experimental results with high precision were obtained.
		2007 Vol. 27 (09): 1685-1688 [Abstract] ( 1084 ) PDF (1218 KB) ( 561 )

	1689	Investigation of Optical and EPR Spectra of ZnO∶V³⁺ Crystal
		FENG Wen-lin^1,3, WU Xiao-xuan^2,3,4, ZHENG Wen-chen^3,4
		In the present paper, the 45×45 energy matrix of the 3d² ions in trigonal symmetry with the strong-field-coupling mechanism is established. The forty-five optical energy levels and five EPR parameters (including the zero-field splitting D, g factors g_∥,g_⊥ and hyperfine structure constants A_∥, A_⊥) of ZnO∶V³⁺ cryst are calculated from the diagonalization of this complete energy matrix. The calculated results are in agreement with the observed values. Based on the calculation, it was found that the local structure of V³⁺ impurity center is different from the corresponding structure in the host crystal, i.e., the V³⁺ ion in ZnO does not occupy the exact Zn²⁺ site, but is displaced by ΔZ≈0.003 nm along the c₃ axis. The reasonableness of these results is discussed.
		2007 Vol. 27 (09): 1689-1691 [Abstract] ( 2111 ) PDF (933 KB) ( 557 )

	1692	The Inspection of Amoxicillin Medicines Studied by the Terahertz Time-Domain Spectroscopy Technique
		LI Ning,SHEN Jing-ling^*,JIA Yan,ZHANG Cun-lin
		The amoxicillin medicines are widely used in the clinical medicine and ordinary life. The inspection of them is vitally important to the health of the patients and the protection of the legal manufactures. Terahertz is a newly developed electromagnetic radiation with many characteristic properties. In the present paper, three amoxicillin capsules produced by three different companies were studied by the terahertz time-domain spectroscopy technique. The time-domain spectra and the frequency-domain spectra were obtained, and consequently both the absorption coefficient and the refraction index were calculated. The results indicated that the absorption coefficient of the three samples were almost the same, while the refractive indexes of them were different to some extent. It is suggested that the terahertz time-domain spectroscopy is a powerful candidate technique in the quality inspection of penicillin medicines and the crackdowr on the fake drugs.
		2007 Vol. 27 (09): 1692-1695 [Abstract] ( 1127 ) PDF (1352 KB) ( 912 )

	1696	Spectrum Study on Highly Saturated Blue Organic Top-Emitting Devices with Microcavity Structure
		LIU Xiang, BAI Yu, CAO Jin, WEI Fu-xiang, ZHANG Xiao-bo, ZHU Wen-qing, JIANG Xue-yin^*, ZHANG Zhi-lin
		The blue top-emitting organic light-emitting devices with cavity effect have been fabricated. The authors used the TBADN∶ 3%DSAPh as emitting material of blue microcavity OLEDs. The devices consisted of Ag/ITO/CuPc/NPB/TBADN∶ 3%DSAPh/Alq₃/LiF/Al(Ag) structure. On a patterned glass substrate, silver was deposited as reflective anode, and copper phthalocyanine (CuPc) layer as HIL and 4’-bis[N-(1-Naphthyl)-N-phenyl-amino] biphenyl (NPB) layer as HTL were made. Aluminum and silver thin films were made as semi-transparent cathode. The transmittance of aluminum and silver (Al/Ag) cathode was about 30%. In EL spectrum, the full width at half maximum (FWHM) was only 17nm. By changing the thicknesses of ITO, highly saturated color with Commission Internationale de L’Eclairage chromaticity coordinates (CIE_x,y) of (0.141, 0.049) was obtained. In the present article, the emission intensity of spectrum was studied. An appropriate cathode transmittance will result in maximal emission intensity. By using the formula of microcavity, the approximative curve that describes the change of emission intensity with cathode transmittance (or reflectance) was figured out.
		2007 Vol. 27 (09): 1696-1699 [Abstract] ( 1125 ) PDF (1408 KB) ( 561 )

	1700	Influence of Sample Surface Roughness on Mathematical Model of NIR Quantitative Analysis of Wood Density
		HUANG An-min¹,FEI Ben-hua¹, JIANG Ze-hui^1*, Chung-Yun Hse²
		Near infrared spectroscopy is widely used as a quantitative method, and the main multivariate techniques consist of regression methods used to build prediction models, however, the accuracy of analysis results will be affected by many factors. In the present paper, the influence of different sample roughness on the mathematical model of NIR quantitative analysis of wood density was studied. The result of experiments showed that if the roughness of predicted samples was consistent with that of calibrated samples, the result was good, otherwise the error would be much higher. The roughness-mixed model was more flexible and adaptable to different sample roughness. The prediction ability of the roughness -mixed model was much better than that of the single- roughness model.
		2007 Vol. 27 (09): 1700-1702 [Abstract] ( 1703 ) PDF (1021 KB) ( 829 )

	1703	Application Study of Ant Colony Algorithm in Near Infrared Spectroscopy Quantitative Analysis
		GUO Liang,JI Hai-yan^*
		Ant colony algorithm is a novel bio-inspired optimization algorithm, which simulates the foraging behavior of ants for solving various complex combinatorial optimization problems. The advantages of ant colony algorithm are intelligent search, global optimization, robustness, distributed computation and easy combination with other heuristic method. Near infrared spectroscopy quantitative analysis has been applied in many fields, whereas the key step is building the calibration model of measured data. In the present paper, ant colony algorithm was used to build the quantitative analysis model of Fourier transform near infrared diffuse spectroscopy for protein in cereal. Satisfied results were obtained. For calibration set, the correlation coefficient and relative standard deviation were 0.943 and 3.41%, respectively, while for prediction set, the correlation coefficient and relative standard deviation were 0.913 and 4.67%, respectively.
		2007 Vol. 27 (09): 1703-1705 [Abstract] ( 1192 ) PDF (1127 KB) ( 592 )

	1706	Application of FTIR Array of Correlation Coefficient to the Identification of Slviae Miltiorrhizae Bge
		CHU De-ren, ZHOU Qun, YU Lu, SUN Su-qin^*
		Based on the fingerprint infrared spectrum database, array of correlation coefficient has been first applied to identify traditional Chinese medicine slviae miltiorrhizae Bge. from different producing areas and growing environments. The result showed that the setting of high correlation coefficient in particular ranges of spectrum could differentiate the producing area of Slviae, while the setting of low correlation coefficient threshold of R5 to R7 ranges could identify wild or cultivated samples. This approach seems to be not only a simple but also an accurate method for identifying the character of different Slviae.
		2007 Vol. 27 (09): 1706-1709 [Abstract] ( 472 ) PDF (1178 KB) ( 625 )

	1710	FTIR Spectroscopy Analysis of Mosses with Different Kinds of Peristomes and Its Systematic Significance
		XU Sheng-chong,CAO Tong^*,NIE Ming
		The spectra of 23 species of mosses belonging to different kinds of peristomes were determined by Fourier transform infrared (FTIR) spectroscopy. Based on comparing the differences in the spectra of five representative species, four ranges of 1790-1330cm^-1, 1 200-960 cm^-1, 895-830 cm^-1 and 725-655 cm^-1 were selected as the characteristic spectra for analysis. The results show that hierarchical cluster analysis (HCA) and principal components analysis (PCA) using the second derivatives FTIR spectra can effectively identify five kinds of mosses: Sphagnidae, Nematodontae, Acrocarpi-Haplolepideae, Acrocarpi-Diplolepideae, and Pleurocarpi-Diplolepideae, which are well suited for the known moss systems based on peristome structure. Therefore, FTIR spectra combined with chemometrics can be used as a useful tool in systematic research on bryophytes.
		2007 Vol. 27 (09): 1710-1714 [Abstract] ( 118 ) PDF (1890 KB) ( 530 )

	1715	Theoretical Study on Infrared Vibration Spectrum of (SiO₂)_nO₂H₄
		CAO Juan^1,2,XU Can^1,2*, ZHU Li-fang^1,2,WANG Xi-min³
		Infrared vibration spectra of nanosize (SiO₂)_nO₂H₄ with line, ring and cage structures were calculated using the density-functional theory (B3LYP) at 6-31G(d) level. For quasi 1D (one dimension) line and ring structure, the frequencies of stronger infrared vibration modes monotonically change as a function of the length, which shows strong size effect. The IR vibration modes in directions parallel and perpendicular to the axis of nanoline or nanoring have opposite size dependence trends, showing the real vibration anisotropy property of nano scale material. Due to constructional complexity, cage structure does not have quasi 1D character. Morever, IR vibration modes increase as structural symmetry decreases. Vibrations of two-membered ring, isolated hydroxyls of three structures and framework SiO₄ tetrahedron in cage structure agree well with experimental data. Theoretical calculation result of IR spectra can be used to guide characterization of silicon oxide nano scale materials fabricated in experiment.
		2007 Vol. 27 (09): 1715-1718 [Abstract] ( 1138 ) PDF (1253 KB) ( 482 )

	1719	Study on Identification of Gastrodia Elata Bl. by Fourier Self-Deconvolution Infrared Spectroscopy
		CHENG Ze-feng¹,XU Rui²,CHENG Cun-gui^1*
		In the present article the FTIR spectra of the wild and planting Gastrodia elata Bl. from different habitats and its confusable varieties such as Canna edulis Ker-Gawl, Colocasia esculenta (L. ) Schott and Solanum tuberosum L. were obtained by horizontal attenuated total reflection infrared spectroscopy (HATR-FTIR), and were all transformed by Fourier self-deconvolution. The authors investigated the discrepancy extent of Fourier self-deconvolution of Gastrodia elata Bl and confusable varieties under various bandwidth and enhancement, and found that the discrepancy extent of Gastrodia elata Bl and confusable varieties was the most obvious when the bandwidth was between 75.0 and 76.0 and enhancement was 3.2. By adopting Fourier self-deconvolution infrared spectroscopy (FSD-IR) analytical method the samples were studied in detail. The results showed that we could find out the difference among them by means of Fourier self-deconvolution infrared spectroscopy, although it was very difficult to find out the difference in FSD-IR spectra of wild and planting Gastrodia elata Bl., and asexual reproduction and sexual reproduction Gastrodia elata Bl. The difference in FSD-IR spectra between Gastrodia elata Bl. and its confusable varieties is also very great. Therefore, this method can be used to recognize different Gastrodia elata Bl. and its confusable varieties simply, rapidly and accurately.
		2007 Vol. 27 (09): 1719-1722 [Abstract] ( 1667 ) PDF (1391 KB) ( 997 )

	1723	Analysis and Identification of Sea Cucumber and Products
		CHEN Jun, ZHOU Qun, YU Lu, SUN Su-qin^*
		As high-grade health foods, the deep-processed products of sea cucumber, such as its capsule, injection and etc, have a broad prospect. But so far there is not a generalized efficient verification method or standard for these products. In this research, the authors used Fourier transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR) to determine fine sea cucumber products. At first, by processing live sea cucumber, the authors got some standard spectra. Then the authors used them to compare with different kinds of products, from the correlation coefficient of which the authors found the sea cucumber capsule made by Hai-Yan-Tang Corp. the most correlative with ours. This indicates that the capsule is filled with pure sea cucumber powder and has high quality. The authors’ research also implies that the quality-verification for sea cucumber products by using a database of their standard spectra is quite possible.
		2007 Vol. 27 (09): 1723-1726 [Abstract] ( 1209 ) PDF (2065 KB) ( 852 )

	1727	Estimation of Soluble Solids Content of Intact Citrus Fruit by Vis/NIR Spectroscopy
		LU Hui-shan, FU Xia-ping, XIE Li-juan, YING Yi-bin^*
		Visible/Near-infrared (Vis/NIR) spectroscopy has become a very popular technique for the non-invasive assessment of intact fruit. The feasibility of using Vis/NIR spectroscopic technology for rapid quantifying soluble solids content (SSC) of citrus fruit was investigated by means of spectral transmittance mode. A total of 110 citrus fruit samples were used to develop the calibration and prediction models. The relationship between actual SSC and Vis/NIRS spectra of citrus fruit samples was analyzed via pricipal component regression (PCR) and partial least squares (PLS) regression method using TQ 6.2 spectral analysis software. Models based on the different spectral pre-processing methods were compared in the present research. Performance of different models was assessed in terms of root mean square errors of prediction (RMSEP) and correlation coefficients (r²) of prediction set of samples. The best predictive models feature a RMSEP of 0.538% and correlation coefficient (r²) of 0.801 for SSC. The results show that the Vis/NIR transmittance technique is a feasible, accurate and fast method for non-invasive estimation of citrus fruit SSC.
		2007 Vol. 27 (09): 1727-1730 [Abstract] ( 539 ) PDF (1469 KB) ( 966 )

	1731	Study on the Relationship between Spectral Properties of Oilseed Rape Leaves and Their Chlorophyll Content
		FANG Hui¹, SONG Hai-yan^1，2, CAO Fang¹, HE Yong¹, QIU Zheng-jun^1*
		Chlorophyll is the important factors of the crop in its growth stage, and it is the favorable indicator of nutrition stress and photosynthesis. Site-specific crop nutrition diagnosis is the basics of the scientific fertilizer management, and it is essential for the practice of precision agriculture. Spectral properties of the oilseed rape leaves in different nitrogenous fertilizer levels were measured using visible-near infrared reflectance spectroscopy (Vis-NIRS) with natural illumination in the present study. According to the unique spectral properties of the crop, multiple stepwise regression technique was used to find the relationships between chlorophyll content and red edge, green edge. The result shows that the model with two independent variables (red edge, green edge) was better than with the one independeot variable (red edge). The correlation coefficient was 0.863, 0.848, and SEC was 5.273, 5.459, respectively. It can be seen the combination of the red edge and green edge can accurately predict chlorophyll content.
		2007 Vol. 27 (09): 1731-1734 [Abstract] ( 1169 ) PDF (1271 KB) ( 853 )

	1735	Study on Quality Detection of Milk Powder Based on Near Infrared Spectroscopy (NIR)
		WU Jing-zhu^1,3, WANG Yi-ming^1*, ZHANG Xiao-chao², XU Yun1
		The traditional NIR model was usually built according to various parameters of an individual type of milk powder so that it’s really time-consuming. To simplify the application of NIR in real-time quality detection of milk powder, it was proposed in the present paper to build NIR models for a sample set composed of different types of milk powder. With 70 samples provided by one manufacturer, 6 NIR models including acidity, fat, lactose, sucrose, protein and ash, were built by optimizing algorithms. The results indicated that these NIR models except the acidity model have good stability and high prediction ability (RSD<10%, RPD>3).
		2007 Vol. 27 (09): 1735-1738 [Abstract] ( 1686 ) PDF (1008 KB) ( 593 )

	1739	Research on Discrimination Method of Orange Juice Variety Based on Spectroscopy Technology
		SHAO Yong-ni, HE Yong, PAN Jia-zhi, QIU Zheng-jun^*
		In order to quickly analyze varieties of orange juice with near infrared spectra, firstly, principal component analysis (PCA) was used to analysze the clustering of orange juice samples, and the characteristic differentia of four orange juice varieties was obtained through qualitative analysis. Then plentiful spectral data were compressed by wavelet transform (WT) and the model was built with radial basis function neural network (RBF-NN), which offered a quantitative analysis of orange juice varieties discrimination. The model regarded the compressed data as the input of RBF-NN input vectors and built a RBF-NN model. Two hundred forty samples from four varieties were selected randomly to build the training model, which in turn was used to predict the varieties of 60 unknown samples. The discrimination rate of 100% was achieved by WT-RBFNN method. It was indicated that wavelet transform combined with RBF-NN is an available method for variety discrimination based on the near infrared reflectance spectroscopy technology. It offered a new approach to the fast discrimination of varieties of orange juice .
		2007 Vol. 27 (09): 1739-1742 [Abstract] ( 229 ) PDF (1296 KB) ( 934 )

	1743	Application of Near Infrared Sensor to the Radio Control Count System
		WANG Song-de,YAO Li-ping,ZHU Xiao-long,ZHANG Xu-xin
		Using reflective near infrared sensor, radio receiving/transmitting module and four-in-one function mix count integrated circuits, the radio control infrared counter was studied when a product enters the infrared surveillance area, part of the infrared signal will be reflected by the product, received by the photosensitive tube installed parallel with the transmitting tube, and transformed to a similar frequency electric signal, which is amplified by the internal circuits of infrared sensor module. After comparing and processing, a high level signal will be output to start transmitting module. When the receiving device receives the radio control encoded signal, it will demodulate and decode the signal, and send out an encoded pulse. By counting this pulse signal, the statistics of the products can be realized. The whole device is of a module configuration. It has the advantage of simple installing, strong anti-detonation ability, far distance-transmitting, work reliability, precise counting and high luminance digital display. It can be used in heavy industry, light and textile industry, food industry, and farming and animal husbandry, to radio control the count of yield or volume in some facilities or assembly lines.
		2007 Vol. 27 (09): 1743-1746 [Abstract] ( 357 ) PDF (1901 KB) ( 791 )

	1747	Rapid Measurement of Citric Acids in Orange Juice Using Visible and Near Infrared Reflectance Spectroscopy
		CEN Hai-yan, HE Yong, ZHANG Hui, FENG Feng-qin^*
		Visible and near infrared reflectance spectroscopy (Vis/NIRS) as a new method was proposed for the rapid and non-destructive measurement of citric acids in orange juice. High performance liquid chromatography (HPLC) was used as a reference method for the spectral analysis of citric acids. The original spectral data were preprocessed by the smoothing method with five smoothing points in order to eliminate the noise. Before modeling, large spectral data were compressed by wavelet transform (WT) in Matlab7.01 with the edited program to reduce the dimensions and modeling time, and then the new variables after being compressed were used to build PLS calibration in spectral software Unscrambler 9.5. Considering the effect of different wavelet functions and decomposed scales on the data compressed, the optimal wavelet function Db4 and decomposed scale 5 were determined by predictive residual error sum of squares (PRESS). A total of forty samples were used in our experiment, including thirty samples for the calibration model and ten unknown samples for the prediction. The quality of the calibration model was evaluated by the correlation coefficients (r) and standard error of calibration (SEC), and the prediction results were assessed by correlation coefficients (r) and standard error of prediction (SEP). Comparing WT-PLS model with PLS model, the result of WT-PLS model was r of 0.901 and SEP of 0.937, while the result of PLS model was r of 0.849 and SEP of 1.662, indicating that the prediction result from PLS model with wavelet transform was better than that from PLS model.
		2007 Vol. 27 (09): 1747-1750 [Abstract] ( 2663 ) PDF (1233 KB) ( 1251 )

	1751	Influence of Sample Loading and Test Conditions on NIR Veracity and Study of Analysis Error Source
		LI Jun-hui¹, QIN Xi-yun², ZHANG Wen-juan¹, CAI Gui-min¹, YANG Yu-hong², ZHAO Long-lian¹, CHANG Zhi-qiang¹, ZHAO Li-li¹, ZHANG Lu-da³
		The influence of sample test conditions on the NIR veracity was studied with homemade grating diffuse NIR instrument using Yunnan flue-cured tobacco. Deducing analysis error was achieved by model self-emendation when a global NIR model was set up. Without regarding the influence of loading samples and test conditions, the test repetition error, re-loading error and samples tightness error, which were brought by instrument S/N, accounted for 50%, 30% and 20% of the total error, respectively. Depressing sample could reduce errors brought by sample tightness. Changes in test conditions could bring more analysis error, which was larger than the total of repetition error. These results theoretically explain the influence of sample test conditions on the NIR analysis veracity, which can provide basic theory data for farther improvement of homemade instrument and offer a new idea for resolving this problem.
		2007 Vol. 27 (09): 1751-1753 [Abstract] ( 2254 ) PDF (926 KB) ( 914 )

	1754	Influence of Sample Annum and Distribution of Chemical Values on NIR Veracity
		LI Jun-hui¹, QIN Xi-yun², ZHANG Wen-juan¹, CAI Gui-min¹, YANG Yu-hong², ZHAO Long-lian¹, CHANG Zhi-qiang¹, ZHAO Li-li¹, ZHANG Lu-da³
		The influence of sample annum and the distribution of sample component on NIR veracity was studied with homemade grating diffuse NIR instrument using Yunnan flue-cured tobacco. Results showed that sample annum had an obvious influence on the total sugar and nicotine models, but had an unconspicuous influence on the total-nitrogen model. Models set up by samples, whose component content distribution was normal school, was better than those set up by even distribution. The conclusion in this study has a significant referenced value for the method and principle to select representative samples to modeling from a large amount of specimens.
		2007 Vol. 27 (09): 1754-1756 [Abstract] ( 306 ) PDF (1197 KB) ( 674 )

	1757	Surface Enhanced Raman Spectroscopic Study on the Gold-Labeled Protein Self-Assembled Surface
		CHAO Ke-fu^{1, 2}, ZHANG You-lin¹, KONG Xiang-gui^1*, FENG Li-yun^{1, 2}, LI Bing¹, ZENG Qing-hui¹, SONG Kai^{1, 2}, SUN Ya-juan¹
		The human IgG molecules were labeled with 13nm gold nanoparticles and the complex of the gold-labeled human IgG molecules was immobilized on a silicon surface modified by 3-aminopropyltriethoxysilane and glutaraldehyde. The method increases not only the tightness but also the surface coverage for immobilization of the complex and retains protein configuration well on the silicon surface. The self-assembled complex surface was observed by AFM. The complex aggregated on the silicon surface and the “island” monolayer of the complex was obtained. Meanwhile the SERS spectrum of the complex self-assembled “island” monolayer on silicon surface was presented. In the present paper, the gold labeled human IgG molecules were self-assembled on the silicon surface, SERS spectra of protein were obtained and as SERS active substrates were provided for the study of the protein molecules.
		2007 Vol. 27 (09): 1757-1760 [Abstract] ( 1436 ) PDF (1379 KB) ( 776 )

	1761	Study of Raman Spectra of Single Carcinoma of Nasopharynx Cell
		YAO Hui-lu¹, ZHU Miao², WANG Gui-wen¹, PENG Li-xin¹, HE Bi-juan³, HE Min²,LI Yong-qing⁴
		The Raman spectra from carcinoma of nasopharynx cell lines (CNE₂) and normal airway epithelial cell lines(HBE) were investigated using a laser tweezers Raman spectroscopy (LTRS). The Raman scattering measurements were obtained from three different places in every single cell.Visual inspection of the spectra shows that the differences observed in spectra of the cancer cells and normal cells are obvious. The peak ratio I₁₃₀₄/I₁₃₃₆ is 1.05 for the normal cell and 1.22 for the cancer cell. Using a combination of principal component analysis(PCA) and discriminant function analysis(DFA), the authors are able to predict cancer cells, and normal cells and the DFA is better for single Raman spectrum. The sampling locations did not seriously affect the result of PCA and DFA. PCA and DFA also show that the uniformity of normal cells is better than that of cancer cells. The results indicate that the Raman spectra may offer the experimental basis for colorectal cancer diagnosis.
		2007 Vol. 27 (09): 1761-1764 [Abstract] ( 1738 ) PDF (1771 KB) ( 986 )

	1765	Excitation-Emission-Matrix Spectral Property of Dissolved Organic Matter in Seawater of Jiaozhou Bay, China
		JIANG Feng-hua^{1, 2}, YANG Huang-hao²,Frank Sen-chun LEE^2*, WANG Xiao-ru^{1, 2}, WANG Xiu-lin¹, YIN Yue-fen^{1, 2}
		Excitation-emission matrix spectroscopy (EEMs) was applied to measure the fluorescence properties of dissolved organic matter (DOM) in seawater collected from Jiaozhou Bay in June, 2005. The study areas include central Bay area, receptor areas of Dagu River, Licun River and Haibo River. The aim was to investigate the influence of discharges from several typical rivers to the receiving seawater. Dagu River discharges mostly freshwater, while the other two rivers discharges include more wastewaters from factories and sewages treatments. The results indicate that there is a redshift of the position of humic-like fluorescence peaks due to the discharges from sewages and wastewaters from factories. The intensities of protein-like and humic-like peaks were the strongest in the samples from area near Haibo River and Licun River, while the weakest fluorescence intensities of both protein-like and humic-like were observed in the samples collected from central bay area. This suggests that river inputs are the mains sources of DOM in seawater of Jiaozhou Bay, while DOM produced by bioactivity in situ dominates those in central Bay area. The relationships of protein-like and humic-like fluorescence intensities vary depending on the water samples. The DOM in seawater of Jiaozhou Bay may be polluted by protein-like organic matter produced by human activity, as indicated by higher ratios of protein-like and humic-like fluorescence intensities. The results suggest the potential utility of EEMs technique for trace DOM and land-based pollution sources.
		2007 Vol. 27 (09): 1765-1769 [Abstract] ( 2309 ) PDF (2173 KB) ( 824 )

	1770	Progress in Predicting Animal Feed Intake of Plant Secondary Compounds by Spectral Analysis
		WANG Yuan-su^1,2, HONG Fu-zeng¹, WANG Kun^1*
		Study on feed intake of phytophagic animals is a key issue in promoting animal productivity and conservation of wild life. However, how to accurately predict the feed intake of grazing animal and wild life is a long remaining problem. Under the mechanism of co-evolution, plant produces secondary compounds such as phenolics, terpenoids and nitrogen-containing compounds to avoid or reduce animal herbivorous damage as a defensive strategy, while animal attained detoxification capacity of bio-transforming and mineralizing the compounds by microbial activities and reactions such as hydrolysis and reduction. The attributes of feedstuff and the amount of a particular feed consumed by the animal affect directly the urinary excretion of secondary metabolites. Plant secondary compounds and their metabolites can be efficiently extracted, separated and structure-identified by spectroscopic analytic method. Then the feed intake of the animal can be accurately measured or predicted by the inference model of concentration-ratio that is based on the regression of correlating the secondary metabolites to the precursors in plant. Aromatic compounds, an universal occurrence in vascular plants, play an important role in predicting feed intake of ruminants. Progresses have been made all-around about the new method. Intensive studies have found that different species and developing stage of plant have varying kinds and levels of secondary compounds, and the age, gender and type of animal have different capacity of metabolizing the compounds. Increasing concentrations of the compounds in the diet led to a dose-dependent decrease in food intake best described as an exponential decay. Animals that had not previously been exposed to the compounds ate significantly more when first offered food containing the compound than on subsequent days. Advanced spectroscopic analytic method has been developed and widely applied in extraction (e.g. microwave assisted extraction and ultrasonic extraction), separation and purification (e.g. paper chromatography, VLC, GC, HSCCC, Micro-LC and HPLC), and structure-identification (e.g. Fourier transform infrared spectroscopy, ultraviolet spectroscopy, and nuclear magnetic resonance spectroscopy) of plant secondary compounds and their metabolites. Studies suggest that some aromatic compounds like phenolic alkaloids, flavonoids, tannins, lignin and N-alkane are suited internal markers and find that the method to predict animal feed intake of plant secondary compound by spectral analysis is quick, accurate and applicable. The further focus should be on selecting appropriate compounds and their fate in metabolizing and excretion, and the development of intelligentized spectroscopy equipments.
		2007 Vol. 27 (09): 1770-1774 [Abstract] ( 1128 ) PDF (942 KB) ( 498 )

	1775	Spectrofluorometric Detection of Protein with a Novel Hydrophilic Cyanine Dye
		LIN Xu-cong, GUO Liang-qia, LIN Yan-xia, XIE Zeng-hong^*
		A sensitive fluorescence quantitative determination for bovine serum albumin (BSA) or human serum albumin (HSA) has been developed by using a new hydrophilic cyanine dye 1,1’-sulfonopropyl-3,3,3’,3’-tetramethylindolium-5,5’-disulfonic potassium (STDP) as a fluorescence probe. Using BSA as a representative protein, characteristics of the fluorescence reaction of STDP with protein were investigated. Effects of the concentration of the hydrophilic cyanine dye, pH value of the buffer solution, and ion-intensity of NaCl were also studied as well as the ratio of ethanol. In the citrate-HCl buffer solution, the fluorescence emission wavelength of BSA-STDP system was 562 nm with the maximum excitation wavelength of 548 nm, and the Stokes displacement was 14 nm. With the pH ranging from 1.0 to 2.0, the fluorescence was increasing and up to the maximum at pH 2.0. However, in the pH range of 3.0-5.0，the interaction of BSA and STDP was weakened due to the decrease in positive charge on the BSA chain, which resulted in an observable decrease of the enhancement of the fluorescence intensity. At the optimum pH of 2.0, electrostatic interactions of positive charges of the BSA chain and negative charges on the sulfonic groups of STDP were carried out. The interactions of the indole group of STDP and some active groups of BSA (viz. amido, carboxyl or sulfhydryl) were also achieved, and resulted in the combination of indole group of cyanine dye into the chain of BSA. So the hydrophobic effect and the protection provided by the skeleton chain of BSA were both improved to prevent the fluorescent energy of STDP from losing in the solution, which caused a notable fluorescence increase with an observable shift to the longer emission wavelength. Furthermore, with the augmentation of BSA, the α-helix structure of BSA molecular turned from the unwrapped state to the enfolded state, in favor of restraining free-oscillation of fluorescence probe in the solution and maintaining a high energy transfer efficiency. Such a fact fueled a highly enhancement of the fluorescence too. Besides, effects of the concentration of cyanine dye on the determination of BSA were also investigated. The fluorescence intensity (ΔF) was enhanced with the increase in the quantity of STDP and gained the peak at 1.00 μmol·L^-1. However, when STDP ranged from 1.50 to 5.00 μmol·L^-1,some negative congregate effects on the nature of cyanine dye might happen and resulted in a too high fluorescence background. A rapid decrease of the fluorescence intensity was observed. The effects of ion-intensity of NaCl and ethanol on the fluorescence of BSA-STDP system were obvious. Though the fluorescence still remained high at the level of NaCl of 0.025mol·L^-1,a rapid decrease happen at the level of NaCl from 0.05 to 0.15 mol·L^-1. With the addition of ethanol, the dissolvation capacity of both STDP and BSA was improved and their interactions were accelerated. An increasing fluorescence with the augment of ethanol was obtained and the maximum was achieved with the ratio of ethanol at 10%. Influences of coexistent substances such as amino acid, metal ions such as Cu²⁺, Na⁺, Ca²⁺, Mg²⁺, Al³⁺ and Fe³⁺ were also investigated. Most substances had no notable influences on the determination of BSA except Fe³⁺ and Cu²⁺ions. Under the optimum conditions, the fluorescence of STDP was enhanced markedly with the addition of the BSA or HSA protein. Good calibration curves of the proteins were obtained in the range of 0.20-15.00 μg·mL^-1 for BSA and 0.20-12.00 μg·mL-1 for HSA with detection limits (3σ/K) of 0.01μg·mL^-1. Applied to simulant BSA samples, this method was adaptable. And the results were satisfied with good recoveries ranging from 94.5% to 103.3% at the revels of 4.00, 6.00 and 8.00μg·mL^-1 respectively.
		2007 Vol. 27 (09): 1775-1779 [Abstract] ( 2658 ) PDF (1429 KB) ( 875 )

	1780	The Study of Fermentation Liquid’s Absorption Spectra in Elastase Fermentation
		YANG Tian-you^1,2,LUO Jiang-wei¹,LIU Ren-ming¹,LI Zong-wei¹,LI Zong-yi¹,QING Guang-yong^1*,HUO Yu-ping¹
		The present article studied the fermentation liquid’s absorption spectra, bacteria growth period and elastase’ production in elastase fermentation, and compared and analyzed the their relation. The results show that the changes in the absorption spectra were closely related with bacteria growth and elastase’ production.The UV spectroscopic technique is helpful for detecting the change of the organic nitrogenbase and enzyme.The study offers a new method to detect fermentation process and is basic for detecting fermentation process on line by UV spectroscopic technique.
		2007 Vol. 27 (09): 1780-1783 [Abstract] ( 252 ) PDF (1417 KB) ( 575 )

	1784	Studies on the Interaction between Puerarin and Bovine Serum Albumin
		ZHANG Guo-wen^1,2,QUE Qing-min², PAN Jun-hui²
		The interaction of puerarin and bovine serum albumin(BSA) under physiological condition was studied by fluorospectrophotometry. The experiment demonstrated that the quenching mechanism of puerarin a BSA was static quenching process. The quenching constant is 7.29×10¹² L·mol ^-1·s^-1, and the binding constant is 5.04×10⁴ L·mol^-1. According to the Frster nonradiative energy transfer theory, the binding distance between donor (BSA) and acceptor (puerarin) was calculated to be 3.35 nm. The influence of the presence of puerarin on structure of BSA was studied by synochronous fluorescence method, the binding distance between BSA and puerarin was also measured, and the binding mechanism was discussed. In addition, the effect of some ions on the binding constant of puerarin with BSA was also studied.
		2007 Vol. 27 (09): 1784-1787 [Abstract] ( 498 ) PDF (1426 KB) ( 559 )

	1788	Monitoring of Photodynamic Therapy of Port Wine Stain by Fluorescence Spectroscopy
		WANG Lei¹, GU Ying^1*, LI Xiao-song¹, LIU Fan-guang¹, YU Chang-qing²
		The blood drug level and the formation of photoproduct were monitored during photodynamic therapy (PDT) of port wine stain (PWS) by fluorescence spectroscopy. The irradiation was implemented by a 532nm double-frequency Nd∶YAG laser, and the collection of fluorescence spectra was completed with the use of spectrograph and ICCD. In the experiment for validation of the system, the fluorescence basis spectra of hematoporphyrin monomethyl ether (HMME)-sensitized mouse normal skin were constructed, and, by least-square fitting, HMME fluorescence (624nm) could be discriminated from that of photoproduct (652nm). The fitting of fluorescence spectra measured from PWS patients skin containing PSD-007 was performed with the same basis spectra as those from the mouse skin. The curves of blood drug level of different patients with significant variance, as well as those of formation and bleaching of photoproduct were obtained. Fluorescence spectroscopy monitoring system and fitting method presented here can provide technical means for rigorous quantitative PDT dosimetry method, and the results obtained here will make for the individual scheme of PDT.
		2007 Vol. 27 (09): 1788-1792 [Abstract] ( 392 ) PDF (2046 KB) ( 528 )

	1793	Preparation and Spectra Characterization of Optically Variable Pigments with Four Symmetrical Configurations
		DU Hai-yan, CHEN Qi-rong, SUN Jia-yue^*
		The optically variable pigments with four symmetrical configurations were obtained by using the mica titanium as the host materials, which was pretreated in acid and alkaline condition. The reflection differences between the host materials and the coatings were increased by optimizing the number of layers and the arrangement order. The optically variable effect was investigated by X-Rite MA86Ⅱ five angles spectrophotometer. The impact of symmetrical configurations on improving the color travel effect was studied, and the influence of different coating materials on the hue and the color travel effect was researched. The results show that the reflection rate and the color travel effect of the pigment were improved by coating another material on three symmetrical configurations.
		2007 Vol. 27 (09): 1793-1796 [Abstract] ( 427 ) PDF (1714 KB) ( 708 )

	1797	Study on the Spectrum Response of Brassica Campestris L Leaf to the Zinc Pollution
		CHEN Si-ning¹, LIU Xin-hui^1*, HOU Juan¹, LIU Su-hong², CHI Guang-yu¹, CUI Bao-shan¹, YANG Zhi-feng¹
		In the present paper, the spectrum response of Brassica Campestris L leaf to the stress of heavy metal zinc pollution was studied in three spectral rangess of the red edge position (680-740nm), the visible spectrum (460-680nm) and the near infrared spectrum (750-1000nm). The results indicate that the Zn content in cabbage leaves increases and the chlorophyll level reduces with the increase in Zn concentration in soil. With the Zn content of Brassica Campestris L leaves increasing, the leaf spectral reflectivity in visible light (A₁) and the range of red edge shift (S) ascends, the the leaf spectral reflectivity in the near infrared light (A₂) decreases. The three indices of A₁, A₂ and S are fitted much linearly with the logarithm of zinc content in Brassica Campestris L leaves with the high squared regression coefficients of 0.942, 0.981 and 0.969 respectively. The regression models are reliable to estimate the zinc content in Brassica Campestris L leaves.
		2007 Vol. 27 (09): 1797-1801 [Abstract] ( 441 ) PDF (1339 KB) ( 521 )

	1802	Fluorescence Microscopic Study of Environmental Water Sample by a Self-Ordered Ring Technique with Microwave Heating
		LIU Ying^1,2,HUANG Cheng-zhi^1*
		A self-ordered ring (SOR) technique with microwave heating is proposed for the environmental water samples based on the capillary flow of solvent on the solid surface of glass slide support. In the reaction medium of pH 4.58 HAc-NaAc containing poly (vinyl alcohol)-124, a SOR of berberine with the outer diameter of 1.1 mm and the ring belt width of 19.2 μm can be formed using microwave heating and its fluorescence was quenched by picric acid. The maximum fluorescence intensity (I_max) was found to be proportional to picric acid content. When a 0.1 μL droplet of berberine-picric acid mixture was spotted on the solid surface, picric acid in the range of 1.3-30.0×10^-7 mol·L^-1 can be detected, and the limit of detection can reach 1.3×10^-8 mol·L^-1. With the present method, the contents of picric acid in natural water samples and synthetic samples were satisfactorily determined with its recoveries of 96.3％-108.0％ and RSD lower than 3.3%. The sensitivity enhanced 50 times than that by spot analysis, and 60 times than that in solution. Moreover, the interference from background was reduced greatly. The authors believe that the SOR technique will find wide practicability and superiority in both environment and biochemistry.
		2007 Vol. 27 (09): 1802-1806 [Abstract] ( 547 ) PDF (1185 KB) ( 492 )

	1807	Applications of Quantum Dots to Biological Probes
		YANG Dong-zhi, XU Shu-kun^*, CHEN Qi-fan
		Quantum dots (QDs) have shown unique optical properties compared with traditional organic dyes. Now, more and more attention has been paid to them, especially in the fields of biological medicine and materials. Much work about QDs application in biology has been done by many researchers. In resent years, QDs have been widely used as biological probes. By observing the conjugation site between QDs and target molecules or tracking the movement of QDs in live cells, some information about transferring signals mechanism may be obtained, therefore, offering apparent evidence for controlling cell’s growth and finding the factors in the deterioration of cancer. In the present paper, interactions among macro molecules are introduced with fluorescence resonance energy transfer (FRET), fluorescent labeling of biological macro molecules, labeling and imaging of cells and tissues, and imaging in vivo. Furthermore, some developments and problems in application are summarized. Thirty seven references are cited.
		2007 Vol. 27 (09): 1807-1810 [Abstract] ( 488 ) PDF (990 KB) ( 845 )

	1811	Application of Hyperspectral Data to the Classification and Identification of Severity of Wheat Stripe Rust
		WANG Hai-guang¹, MA Zhan-hong¹, WANG Tao², CAI Cheng-jing¹, AN Hu¹, ZHANG Lu-da^2*
		Wheat stripe rust, caused by Puccinia striiformis f.sp.tritici, is one of pandemic diseases causing severe losses in China. Monitoring and warning of this disease is principal for its precise prediction and for implementing effective measures to control it. The hyperspectral data used for analysis were attained from 88 leaves including healthy leaves and infected leaves over a range of disease severity levels. Support vector machine (SVM) was applied to classify and identify the severity of wheat leaves infected by the pathogen. The model was built based on 44 proof-read samples to estimate 44 proof-test samples. And the identification accuracy is totally 97%. So SVM can be used in the classification and identification of severity of wheat stripe rust based on attained hyperspectral data.
		2007 Vol. 27 (09): 1811-1814 [Abstract] ( 299 ) PDF (935 KB) ( 510 )

	1815	The Common and Variation Peak Ratio Dual Index Sequence Analysis on UV Fingerprint Spectra of Paeonia Lactiflora Pall.
		ZOU Hua-bin¹, YUAN Hao², WANG Ai-wu³, YUAN Jiu-rong^2*, YUE Chun-hua²
		Baishao and Chishao (Paeonia Lactiflora Pall.) and their close relative Danpi (Paeonia Suffruticosa Andr) samples were estimated quantitatively, based on their UV fingerprint spectra of the extracts obtained with chloroform, ethanol and water, by applying the common and variation peak ratio dual index sequence analysis method. The analytical results showed that the Baishao samples B2，B3 and B4 from the closest regions were the most similar samples. Their common peak ratios were larger than 70 percent and their variation peak ratios were less than 33.3 percent. However, there existed obvious differences among Baishao sample group 1(B1 and B5), group 2(B2，B3 and B4) and group 3(B6) from different regions. The common peak ratios among group 1(B1 and B5) and group 2(B2，B3 and B4) were lower than 60 percent, while those among group 1(B1 and B5) and group 3(B6) were less than 57 percent. The Baishao samples B1 and B5 from the same region collected in different years were of significant disparity, their common peak ratio was only 44.4 percent, but their variation peak ratios were larger than 100 percent. In fact, this method reaches the limitation of quantitative identification of herbs, and can distinguish at least two samples quantitatively.
		2007 Vol. 27 (09): 1815-1819 [Abstract] ( 589 ) PDF (1232 KB) ( 677 )

	1820	Spectroscopic Study the Interaction of Cucurbit[n]urils with 1-Naphthol, 2-Naphthol
		WANG Ya^1,2, MU Lan^1*, XUE Sai-feng¹, TAO Zhu¹, ZHU Qian-jiang¹
		Interaction of cucurbit[n]urils with two naphthol isomers and the influence of pH on the interaction were studied by using UV-Vis spectroscopy and fluorescence spectrophotometry. The experimental results revealed that cucurbit[8]urils always forms a 1∶1 complex with the naphthol isomers. However, UV-Vis spectroscopy and fluorescence spectrophotometry method showed no obvious interaction of cucurbit[6]urils and cucurbit[7]urils with naphthol isomers in all pH values. Formation constant of K_f was found to be 4.2×10⁴ L·mol^-1,1.6×10⁴ L·mol^-1 of 1-naphthol and 2-naphthol with cucurbit[8]urils respectively by using fluorescence spectrophotometry. Formation constant of K_f was found to be 4.2×10⁴ L·mol^-1,5.4×10⁴ L·mol-1 of 1-naphthol and 2-naphthol with cucurbit[8]urils respectively by using UV-Vis spectroscopy. There is no interaction between cucurbit[8]urils and the naphthol isomers in strong alkalescent medium. The cucurbit[8]urils could include the guest with a 1∶1 ratio in acid and neutral medium.
		2007 Vol. 27 (09): 1820-1825 [Abstract] ( 1198 ) PDF (2276 KB) ( 806 )

	1826	Study on Influence of pH on Interaction of Cucurbit[n=7,8]uril with Two Naphthylamine Isomers
		ZENG Qi-hua,TAO Zhu^*,XUE Sai-feng,ZHU Qian-jiang,MU Lan
		The interaction of cucurbit[n=7, 8]urils(Q[7], Q[8]) with two naphthylamine isomers and the influence of pH on the interaction were studied by using UV-Vis spectroscopy and ¹H NMR technique. The experimental results revealed that Q[7] always forms a 1∶1 complex with the naphthylamine isomers respectively in the pH range (-0.3＜pH＜8) and the interaction of Q[7] with the title guests was not observed in the 8＜pH＜14 range. However, there are five interaction stages for Q[8]-naphthylamine isomer systems, no obvious interaction between the host Q[8] and the title naphthylamine guest(s) at the “highest” and the “lowest” pH (pH＞14 and pH＜-0.3 respectively); the Q[8] could include the guest with a 1∶1 ratio between the “highest” and a “higher” pH or the “lowest” and a “lower” pH (-0.3＜pH＜4 and 9.5＜pH＜14); between the higher and the lower pH (4＜pH＜9.5), the Q[8] includes the guest and forms a inclusion complex with 1∶2 ratio of host to guest.
		2007 Vol. 27 (09): 1826-1829 [Abstract] ( 2457 ) PDF (1845 KB) ( 452 )

	1830	Spectroscopic Studies on the Binding of Phenazopyridine Hydrochloride and Bovine Serum Albumin
		ZHOU Hong¹, CHEN Chang-yun¹, XIE An-jian²
		The binding of phenazopyridine hydrochloride and bovine serum albumin under physiological conditions was studied by spectroscopic method. The quenching mechanism of the fluorescence of bovine serum albumin by phenazopyridine hydrochloride was studied with fluorescence and absorption spectroscopy. The binding constant K_b and the number of binding sites n were determined at different temperatures according to Scatchard equation, and the main binding force was discussed by thermodynamic equations. The effect of the drug on bovine serum albumin conformation was also studied by using synchronous fluorescence spectroscopy. The quenching mechanism of phenazopyridine hydrochloride to bovine serum albumin is static quenching and non-radiation energy transfer. The binding constants K_b at 15, 25 and 37 ℃ are 2.47×10⁷, 9.15×10⁶ and 4.36×10⁶mol^-1 with one binding site, respectively. The thermodynamic parameters of the reaction are ΔH=-71.2 kJ·mol^-1, and ΔS=124.8 J·mol^-1·K^-1. Binding phenazopyridine hydrochloride to bovine serum albumin is a spontaneous inter-molecular interaction in which entropy increases and Gibbs free energy decreases. The binding distance r between phenazopyridine hydrochloride and bovine serum albumin is 1.61 nm according to Frster theory of non-radiation energy transfer. The binding force is electrostatic interaction. Phenazopyridine hydrochloride can be deposited and transported by serum protein in vivo. Phenazopyridine hydrochloride does affect the serum protein conformation.
		2007 Vol. 27 (09): 1830-1833 [Abstract] ( 606 ) PDF (1283 KB) ( 753 )

	1834	Pollution Characteristics Analysis of Hg, Pb and As in Soils of Nonferrous Metal Mine Area by the BCR and HG-ICP-AES Technique
		LI Yong-hua, YANG Lin-sheng, WANG Li-zhen, WANG Wu-yi, LI Hai-rong
		A method for the determination of Hg, Pb and As concentrations in soil and sediment samples by the BCR and HG-ICP-AES technique was described. Under the optimum experimental conditions and instrumental operation parameters, the detection limits of Hg, Pb and As of the method were 0.6, 1.5 and 0.8 ng·mL^-1, respectively. Meanwhile, the analytical results of Hg, Pb and As in the Chinese national standard sediment reference samples were in good agreement with the certified values with the RSDs below 8%. Using the BCR and HG-ICP-AES technique, the content of each chemical species of Hg, Pb and As in soils of nonferrous metal mine area in western Hunan province was studied. The result showed that the Hg, Pb and As contents in soils were dominated by residual form, followed by organic and Fe-Mn oxides form, whereas acid-exchangeable form was rather low. The concentrations of the four Hg species in mine soil were 1.2, 3.0, 47 and 272 times higher than those in the control soil. While the concentrations of Pb and As in the same samples were 1.2, 4.6, 8.1 and 4.5 times and 1.5, 2.9, 3.3 and 2.2 times higher than those in the control soil, respectively. The results indicated that the soil in mine area in western Hunan province was co-polluted polluted by Hg, Pb and As.
		2007 Vol. 27 (09): 1834-1836 [Abstract] ( 1080 ) PDF (933 KB) ( 716 )

	1837	Determination of Copper, Chromium and Arsenic in Wood and Its Products by High Pressure Digest-ICP-AES
		JIN Xian-zhong^1,2,CHEN Jian-guo²,ZHU Li-hui²,CAO Guo-zhou²,HUANG Ben-li^1*
		Sample preparation was studied，samples were sawn to be sawdust，screened by a 35 mesh sieve，dryed 4-5 h at 105 ℃，and its homogeneity was tested by variance analysis. Sample pretreatment methods were investigated with wet decomposition, dry ashing，high pressure digest (including microwave-assisted closed digestion and steel liner PTFE vessel digestion). According to the comparative results, wet decomposition is fit for testing soluble copper, chromium and arsenic. Dry ashing and high pressure digest are fit for testing total copper, chromium and arsenic, but arsenic is easy to lose in dry ashing. Acidity effect and matrix effect were discussed. A method was proposed for the determination of total copper, chromium and arsenic in wood and its products by high pressure digest-ICP-AES. The detection limit of copper, chromium and arsenic was 1.2, 0.2 and 7.1 mg·kg^-1,respectively, RSDs were in the range of 0.2%-1.5%, and recoveries were between 92% and 106%. Using this method, more reasonable results will be given for controlling toxic substances from wood and its products and their wastes. This method has been applied to practical sample analysis.
		2007 Vol. 27 (09): 1837-1840 [Abstract] ( 675 ) PDF (1118 KB) ( 539 )

	1841	Study on the Method of Using ICP-MS to Determine Microelements in the Animal Feed
		WANG Pei-long¹, SU Xiao-ou^1*, GAO Sheng¹, WANG Tong¹, ZHU Ruo-hua²
		The method for the determination of microelements such as Cu, Zn, Fe, Mn, Cr, Cd, Pb, As and Se in the animal feed by inductively coupled plasma-mass spectrometry was developed. The operation parameters, spectrum interference, matrix effect and memorial effect were studied in detail. Under optimal condition, the detection limits of these nine elements were from 2.03×10^-3 to 3.17 μg·L^-1, and the linear range was over three orders with a correlation coefficient above 0.999. This method was applied directly to determine microelements in real samples involving the standard wheat powder, formular feed and pre-mix feed. The determination results of microelements in the standard wheat powder accorded with reference results. The recovery of microelements in the formular feed was from 86% to 115%, and the relative standard deviations ≤8.2%(n=6). The results of elements content in the pre-mix feed were identical with those determined by national standard method. This method is simple, sensitive, accurate and can perform simultaneous multi-elements determination compared with conventional method of animal feed determination. The results were satisfactory.
		2007 Vol. 27 (09): 1841-1844 [Abstract] ( 285 ) PDF (1254 KB) ( 590 )

	1845	Change of the Trace Elements Content from Cigarettes(Tobacco) to Its Ash and to Look at Harm of Stuck Cigarette
		WANG Nai-xing, CUI Xue-gui, HAN Ling, ZHAXI Yongxi, DAWA Zhuoga
		After the digestion of cigarettes and its ash are digested with concentrated nitric acid and perchloric acid, the change in mineral elements (Ca, Mg, Cu, Fe, Zn, Mn, Ni, Co, Cr, Pb and Cd) content in the cigarette and its ash were determined by flame atomic absorptionspectrophotometry. The experimental results showed that there were differences between the cigarette (tobacco) and its ash, especially, the contents of Pb and Cd harmful to human health in the ash are lowed 26.4% and 44.2%, respectively. It is concluded that a part of Pb and Cd in the cigarette passes through the human lung respiration and air environment.
		2007 Vol. 27 (09): 1845-1847 [Abstract] ( 2185 ) PDF (976 KB) ( 900 )

	1848	Determination of Microelements in Different Parts of Limonium Bicolor by FAAS
		WU Dong-qing, LI Cai-xia, AN Hong-gang, SONG Hai, XU Li
		Eight microelements in the flower, stem, leaf and root of limonium bicolor were determined by FAAS.Different parts of the powder were digested with HNO₃-HClO₄ mixed acid (4+1) before the determination.Work conditions, accuracy and precision of the method were studied. The experimental results show that the recovery (n=7) is 99.3%-105.3%, while RSD (n=7) is 0.34%-1.04%. The content of each microelement in the different parts of limonium bicolor is not the same. For the flower: Na＞K＞Mg＞Ca＞Fe＞Zn＞Co＞Cu, stem：K＞Mg＞Ca＞Na＞Fe＞Zn＞Cu＞Co, leaf：K＞Mg＞Ca＞Na＞Fe＞Zn＞Co＞Cu, and root：K＞Mg＞Na＞Fe＞Ca＞Zn＞Cu＞Co，but the contents of K, Mg, Cu, Na and Fe in all different parts of limonium bicolor are relatively high. The method has good precision and accuracy so that it is able to meet the requirements for analysis.
		2007 Vol. 27 (09): 1848-1850 [Abstract] ( 1728 ) PDF (926 KB) ( 469 )

	1851	Determination of Selenium in Tricholoma Giganteum by Flow Injection-Hydride Generation-Atomic Absorption Spectrometry
		LIU Hong-gao¹,WANG Yuan-zhong²,LI Tao³,SHA Ben-cai¹
		Various test conditions and effect factors for the determination of selenium by flow injection-hydride generation-atomic absorption spectrometry were discussed and a method for the determination of selenium in tricholoma giganteum has been developed. The linear range for selenium is 0-50μg·L^-1. The relative standard deviation is less than 3% and the recovery is 96%-105%. This method is simple, rapid and has been applied to the determination of selenium in tricholoma giganteum with satisfactory results.
		2007 Vol. 27 (09): 1851-1853 [Abstract] ( 1921 ) PDF (969 KB) ( 657 )

	1854	Determination of Trace Elements in Cardiocrinum Giganteum by FAAS
		WANG Yuan-zhong¹, LI Shu-bin², GUO Hua-chun³, FAN Hua-cai⁴, SHA Ben-cai^3*, CHEN Fu-shou⁵, WANG Jing-hua⁶
		Conditions for simultaneous determination of multi-tract elements in Cardiocrinum giganteum by flame atomic absorption spectrometry were studied. Elements K, Ca, Na, Mg, Fe, Zn, Mn, Cu and Cr in different growth periods of Cardiocrinum giganteum were determined, the relative standard deviation of the method is between 0.2% and 2.1%, and the recovery is between97.8% and 104.9%. Analytical results were satisfactory. The results showed that some elements essential to human such as Zn, K, Ca, Mg and Mn in Cardiocrinum giganteum are abundant, implying that the nutritive value of Cardiocrinum giganteum is high.
		2007 Vol. 27 (09): 1854-1857 [Abstract] ( 553 ) PDF (984 KB) ( 861 )

	1858	Study of the Sensitizing Effects of Surfactants on the Determination of Aluminum by Air-Acetylene Flame Atomic Absorption Spectrometry
		LU Ju-sheng, TIAN Jiu-ying, DU Bai-xiang，MIAO Xiao-qing
		The sensitizing effects of ten surfactants, such as cetyl trimethyl ammonium bromide (CTMAB) and cetyl pyridinium chloride (CPC), on the determination of aluminum were studied. The results showed that the cationic surfactants in the experiment were good sensitizers for the determination of aluminum，and the sensitization time was about 3.0. On the other hand, anionic surfactants had inhibition action，while particular surfactants had no action. With the sensitizing agent of CTMAB, the operating parameters of the spectrometer and the effects of CTMAB, solution medium and interfering elements in aluminum-nickel alloy sample were studied. The content of aluminum in aluminum-nickel alloy sample was determined by air-acetylene flame atomic absorption spectrometry, the linear range of aluminum of this method was 0.10-2.0 g·L^-1,the relative standard deviation was 2.6%, and the recoveries were in the range of 97%-103%.
		2007 Vol. 27 (09): 1858-1861 [Abstract] ( 502 ) PDF (1120 KB) ( 739 )

	1862	Indirect Determination of Vc with Flame Atomic Absorption Spectrometry
		DONG Zhen-ming, YIN Hai-long, ZHENG Yang-zhen, SUN Qing-ling, ZHANG Yong^*
		In the present paper, a new method for indirect determination of Vc by atomic absorption spectrometry is proposed, based on the reducing properties of Ag⁺. The effects of temperature, reaction time and use level of Ag⁺ on the experiment were studied. Room-temperature and reaction time of 35 minutes were chosen. The oxidant amount is 2.0 mL solution of Ag⁺ (1.0 μg·mL^-1). Meanwhile the AAS working conditions for Ag determination were optimized. The proposed method allows the determination of Vc in a wide range with a relative standard deviation of 2.04%, and the detection limit is less than 1 μg·mL^-1. The method cannot be disturbed by the colour of sample. The interference of coexistent substance is also weak. Other methods for determining Vc could be remedied by this method. Two kinds of standard curves were plotted, standard working curve of sliver and standard working curve of Vc. The former is easier, while the latter is more accurate and could be applied flexibly according to the physical circumstances. This method is easy to control and has been applied to the determination of ascorbic acid in pharmaceutical preparations and orange juice. The recovery ratio of this method is 99.30％-106.06％. The results obtained in the analysis agreed well with the iodimetry in pharmacopeia.
		2007 Vol. 27 (09): 1862-1865 [Abstract] ( 1154 ) PDF (1154 KB) ( 800 )

	1866	Novel Identification of Donkeyhide Glue by X-Ray Fluorescence Analysis
		WANG Wen-jing,GUAN Ying^*,ZHU Yan-ying
		A new fast identification method for a Chinese patent medicine donkeyhide glue was established. Six samples from different producing areas were collected and determined by X-ray fluorescence analysis(XRF). Elements characteristic graphs were plotted and compared with those from the comparison sample. Many elements such as Ca, Na, Cl, K, Fe, Zn, Al, Mg, etc are contained in the six samples, but the contents of elements Cl, Ca, Na and K are obviously different. Some other microelements occur only in one or two samples. According to the above differentia the counterfeits of donkeyhide glue can be distinguished successfully by XRF. XRF is accurate, robust and objective，and could be applied in the discrimination of other traditional Chinese medicines.
		2007 Vol. 27 (09): 1866-1868 [Abstract] ( 1122 ) PDF (1047 KB) ( 859 )

	1869	Study on Absorption Spectra of Cell Substrate for Hep-2 Cell after Being Radiated by X-Ray
		TANG Wei-yue,LIU Ren-ming,ZHANG Feng-qiu,HU Xiao-bo,DIAO Zhen-qi,LI Yun-tao
		UV-absorption spectra of the Hep-2 cell’s culture medium RPMI1640 (10%Foetal Calf Serum ) were collected by UV-3101 spectrophotometer after the Hep-2 cell was radiated by X-ray and cultivated for 24，48 and 72 h, and the absorbability of the proteins in the substrate was analyzed. From these results it was found that there were visible differences among these absorption spectra. In particular, the absorption peaks of the RPMI1640 culture medium during the cultivation shifted from 233 to 235 nm, while the absorption peak at 278 nm became more and more smooth and even finally disappeared with the cultivation time. On the other hand, the absorption intensity of the different-dose groups rose greatly with the time, and were all lower than the control group until the cells were cultivated for 72 h after being radiated by X-ray. It was showed that the content of each amino acid has already changed. That is, during the growing course of the cancer cells, the tryptophan and casein were not depleted equivalently. And there were some important relations between the absorption spectra and the cells’ apoptosis and necrosis induced by X-ray. This will be a foundation for the study of the best X-ray dose for the larynx carcinoma
		2007 Vol. 27 (09): 1869-1872 [Abstract] ( 551 ) PDF (1601 KB) ( 524 )

	1873	Method for Determination of RE₂O₃ by X-Ray Fluorescence Spectrometry
		HUANG Zhao-min¹,ZHOU Su-lian²
		A simple and rapid quantitative method for determining RE₂O₃ in rare earth oxide by X-ray fluorescence spectrometry was developed. A new method for manufacturing sample was brought up. The sample pedestal plate was lathed with polytetrafluoroethylene. A filter paper located in the sample pedestal plate was used to absorb 1 mL analytical solution, dried under infrared lamp or in stove and measured by X-ray fluorescence spectrometry with a 6μm covering film. No remainder was detected in the sample pedestal plate. Vanadium was confirmed as the internal standard to compensate the influence of the location of absorbing filter paper within the sample pedestal plate, the analytical range was large, the accuracy and precision were satisfactory, the results agreed with other methods, and the method has been used in routine analyses for ten years. Also the method for manufacturing sample has been applied to a variety of materials.
		2007 Vol. 27 (09): 1873-1877 [Abstract] ( 550 ) PDF (1109 KB) ( 543 )

	1878	The Study on Energy Band Structure of Silicon Nanowires with XPS
		FU Zhong, FU Yan, HU Hui, SHAO Ming-wang^*, PAN Shi-yan
		Silicon nanowires were obtained via oxide-assisted method, which was operated in a high temperature furnace at 1250℃ under 1000Pa for 5h using Ar as carrier gas. The silicon nanowires were etched with 5% HF aqueous solution for 5 min, and reacted with 1×10^-3 mol·L^-1 AuCl₃ solution, and Au-modified silicon nanowires were obtained. The crystal structure of the products was characterized with XRD, and both of the patterns of Si and Au were observed. The morphology checked with SEM and TEM indicated large scale uniform silicon nanowires and Au particles on the surface of silicon nanowires. The average diameter of Au nanoparticls was 8 nm. The energy band structures obtained with XPS showed that gold nanoparticles are in negative charge and exist both at donor and acceptor levels. The Fermi level moved towards the top of valence band due to oxygen.
		2007 Vol. 27 (09): 1878-1881 [Abstract] ( 465 ) PDF (1671 KB) ( 715 )

	1882	Beam Hardening Simulated Correction Research for X-Ray TICT in Testing Composites Workpiece
		PENG Guang-han¹,CAI Xin-hua¹,HAN Zhong²,ZHOU Ri-feng³,YANG Xue-heng²
		In X-ray TICT, when X-ray is transmitted in the materal, the phenomenon of energy spectrum hardening takes place, resulting in artifacts. Thus, hardening correction has to be done. In the present paper, the phenomenon of X-ray beam hardening resulting in analyized, and the relation between the X-ray beam sum and the transmission thickness in testing composites workpiece is discussed. According to the Beer law and the characteristics of the interaction between X-ray and the material, and getting the data of X-ray beam sum, the relation equation between the beam sum and transmission thickness is simulated firstly, and testing composites workpiece. Then, the relation and the method of equivalence are carried out between the equivalent transmission thickness and the transmission thickness for X-ray beam sum being corrected for monochromatic ray beam. Finally, the attenuation coefficient beam hardening simulated value for X-ray equivalent monochromatic is reasoned out in testing composites workpiece. Then, the attenuation coefficient simulated value that has been corrected is used for product back-projection reconstruction. Thus, the effect caused by X-ray beam hardening is wipped off effectively in testing composites workpiece.
		2007 Vol. 27 (09): 1882-1885 [Abstract] ( 2327 ) PDF (1014 KB) ( 860 )

	1886	Determination and Analysis of Toluene Diisocyanate Metabolites in Mice Using Gas Chromatography-Mass Spectrometry
		JI Yu-bin, JI Chen-feng^*, ZOU Xiang,LIU Hui-xin
		In the present research we used gas chromatography-mass spectrometry (GC-MS)to determine metabolites of toluene diisocyanate (TDI) in mice and deduce the pathway for toluene diisocyanate metabolism in the organism. Conditions for TDI chromatography: Supelco PTETM-5 chromatographic column (30 mm×0.25 mm×0.25 μm); initial column temperature: 90℃, which was maintained for 30 min, then the temperature was increased at a rate of 40℃·min^-1 to 280℃, and maintained for 5.25 min; temperature for the vaporizing chamber: 250℃; carrier gas: helium flowing at 1.0 μL·min^-1. Conditions for chromatography of TDI metabolites in the organism: 94% methyl, 4% ethenyl-bonded-phase fused-silica capillary column (30+2 mX0.25 + 0.02 mm); initial column temperature: 30℃, which was maintained for 5 min, after and then was increased at a rate of 80℃·min^-1 to 280℃, and maintained for 5 min; temperature for the vaporizing chamber: 250℃; carrier gas: helium flowing at 1.0 μL·min^-1. Conditions for mass spectrometry: EI for ionization; 70 eV for ionization energy; 280℃ for connecting tube temperature; 35-350 μ for range of scanning; and 1.0 μL for sample size. The results showed that 2,4-toluene diisocyanate was metabolized into 2,4-diaminotoluene. Under the conditions selected for GC-MS, TDI metabolites in the organism can be isolated and identified.
		2007 Vol. 27 (09): 1886-1889 [Abstract] ( 2347 ) PDF (1673 KB) ( 742 )

	1890	Preparation and Spectra Analysis of Nano-ZnS
		LI Ya-ling^1,2,WANG Yu-hong²,Jimmy Yun³
		The nano-zinc sulfide was prepared in RPBR (rotating packed bed reactor) using zinc nitrate and hydrogen sulfide as the raw materials. The size and morphology, crystal structure, composition and optical properties of the nano-zinc sulfide were analyzed by transmission electron microscopy(TEM), X-ray diffraction(XRD), X-ray photoelectron spectroscopy(XPS), Fourier transform infrared spectrometry(FTIR), UV-visible spectrophotometer and energy dispersive X-ray detector(EDX). The results show that the nano-zinc sulfide particles are spherical and their average size is about 42 nm. The XRD pattern shows that the nano-zinc sulfide is in a good sphalerite crystal phase. The XPS spectra show that the binding energy of the S (2p) is 162.6 eV，while those of the Zn 2p_3/2 and 2p_1/2 are 1021.4 and 1 044.6 eV respectively. The IR spectrum shows that the nano-zinc sulfide has good transmittance within the wavelength number range from 400 to 4000 cm^-1. The UV-Vis spectrum shows that the nano-zinc sulfide has strong absorption within the wavelength range from 200 to 340nm. The optical gap of the nano-zinc sulfide is 3.57eV by calculation. The EDX spectrum shows that the nano-zinc sulfide has high purity.
		2007 Vol. 27 (09): 1890-1893 [Abstract] ( 1637 ) PDF (1442 KB) ( 960 )

	1894	Structure and Photoluminescence of ASnO₃(A=Ca, Sr and Ba)∶Eu Nanocrystalline
		FU Xiao-yan¹, NIU Shu-yun^1*, ZHANG Hong-wu², XIN Qin²
		The present paper reports the photoluminescence properties of nanocrytalline ASnO3(A=Ca, Sr and Ba)∶1%Eu phosphor synthesized by the Pechini-type sol-gel method. The powder was characterized by X-ray diffraction(XRD), UV-Vis absorption spectra, transmission electron microscopy (TEM) and photoluminescence measurements. The experimental results show that BaSnO₃ has the ideal cubic peroskite structure, while SrSnO₃ and CaSnO₃ are both distorted from cubic symmetry by an octahedral tilting distortion. The difference of structure in induced the different spectral properties of ASnO₃:∶1%Eu. On the other hand, when A²⁺ changes from Ca²⁺ to Ba²⁺, the luminescence intensity becomes weak. So CaSnO₃∶1%Eu seems to be a good candidate for new phosphors.
		2007 Vol. 27 (09): 1894-1897 [Abstract] ( 400 ) PDF (1456 KB) ( 446 )

	1898	Supervised Feature Extraction Based on FDA and Galaxy Spectra Classification
		LI Xiang-ru¹,HU Zhan-yi^1*,ZHAO Yong-heng²
		With the recent technological advances in wide field survey astronomy and the implementation of several large scale astronomical survey proposals, celestial spectra are becoming very rich and the study of automated processing methods is attracting more and more attention. In the present work, the authors pointed out that it is necessary to investigate supervised feature extraction by analyzing the characteristics of the spectra classification research in literature and the limitations of unsupervised feature extraction methods. And the authors studied supervised feature extraction based on Fisher discriminant analysis (FDA) and its application in galaxy spectra classification. FDA could effectively reduce dimension and extract the features based on the classifying capability by fusing information in training data. Experiments show its superior performance in dimensional reduction for galaxy spectra classification.
		2007 Vol. 27 (09): 1898-1901 [Abstract] ( 1546 ) PDF (1074 KB) ( 631 )

　CopyRight © OFFICE OF SPECTROSCOPY AND SPECTRAL ANALYSIS
　Address: NO.76 Collage South Road of Beijing 　Postalcode:100081
　Tel. (010)62181070　E-mail:chngpxygpfx@vip.sina.com
　Support by Beijing Magtech Co.ltd　E-mail:support@magtech.com.cn