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2007 Vol. 27, No. 03 Published: 2007-03-26

光谱学与光谱分析

	417	Study on the Optical and EPR Spectra of CuAlS₂∶Ni⁺
		WU Xiao-xuan^{1, 2, 3},ZHENG Wen-chen^{2, 3},LIU Hong-gang²
		Ni⁺ ion was used to replace Cu⁺ ion in CuAlS₂ ternary semiconductor. By use of the crystal-field theory and the structured data of Cu⁺ site in CuAlS₂ crystal, the optical and EPR spectra of CualS₂∶Ni⁺ were calculated. The results are consistent with the observed values.
		2007 Vol. 27 (03): 417-419 [Abstract] ( 1539 ) PDF (411 KB) ( 470 )

	420	Comparison of the Formation Cross-Sections of Exciton in Fluorescent and Phosphorescent Dyes
		LU Jing, HOU Yan-bing^*,SHI Quan-min, LI Yun-bai, JIN Hui
		In the present paper, polymer-based light-emitting diode employing N-vinylcarbazole (PVK) doped with dilute phosphorescent dye factris-(2-phenylpyridine) iridium [Ir(ppy)₃] and fluorescent dye 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) as active layer was fabricated in order to compare the formation cross-sections of triplet exciton and singlet exciton. According to the changes in the electroluminescence (EL) spectrum and the relative intensity of photoluminescence (PL) spectrum, we deduce that the exciton formation cross-section of Ir(ppy)₃ is larger than that of DCJTB.
		2007 Vol. 27 (03): 420-422 [Abstract] ( 1012 ) PDF (291 KB) ( 467 )

	423	Research on Theory and Application of the Interferogram of Voigt Profile
		HE Jian^1,2,ZHANG Chun-min²,ZHANG Qing-guo¹
		At normal pressure, Voigt profile (the convolution of Gaussian profile and Lorentzian profile) is the closest to actual profile, but it has no accurate expression, so in actual application many approximations are used to express Voigt profile. In the present paper, without any approximation, the authors calculate the interferogram of Voigt profile, showing that Voigt profile has no expression, but its interferogram can be calculated strictly. The transform has only one term, which is very similar to the expressions of Gaussian profile and Lorentzian profile, so any calculations of the widened profile can be finished, which doesn’t have two terms as some papers predict, and difficulties will be brought. The calculation results are consistent with the experimental results. As an example in actual application, its application in atmospheric wind measurement is pointed out. This calculation has important significance in Fourier transform spectrometer of gas widened profile.
		2007 Vol. 27 (03): 423-426 [Abstract] ( 1748 ) PDF (824 KB) ( 585 )

	427	Preparation and Luminescence Properties of Nanocrystals Gd₂O₃∶Eu³⁺
		PENG Zhi-wei,WANG Ling-ling^*,LIU Huang-qing, LI Hong-jian, ZOU Bing-suo, YANG Guang, ZHANG Jie
		Nanocrystalline Gd₂O₃ doped with europium was synthesized by the low-temperature combustion method. By using the X-ray diffraction (XRD), high resolution transmission electron microscopy(HRTEM), and fluorescence spectrophotometer, the structural, morphological and luminescence properties of the nanocrystal were investigated. The results show that by varying the glycine-to-metal nitrate (G/M) molar ratio and the annealing temperature, nanocrystalline Gd₂O₃∶Eu³⁺ with different structure and grain size could be achieved. The structure changed from cubic to monoclinic with the increment of G/M ratio after the samples had been calcined at 800 ℃ for 0.5 hour. When the G/M ratio was 0.83 and 1.0, the nanosized and pure cubic phase Gd₂O₃∶Eu³⁺ was produced. The crystalline size became bigger with increasing the annealing temperature. The grain size was about 10-30 nm. The main emission peak in cubic Gd₂O₃∶Eu³⁺ nanocrystal was at 612 nm(the ⁵D₀→⁷F₂ transition). In addition, a red shift for charge transfer state occurred in the excitation spectrum.
		2007 Vol. 27 (03): 427-431 [Abstract] ( 1104 ) PDF (1042 KB) ( 438 )

	432	The Analysis of Polarized Display Characteristic of LCLV
		HUANG Chong, LIU Ji, JIANG Yan-sen, OUYANG Yan-dong
		The polarized TN effect of LCLV is discussed, and the twist of LC molecule with the AC voltage in LCLV is analyzed after its reorientation. While changing the applied voltage continuously at certain frequency, the twist angle of LC molecule in TB3639 LCLV and the electro-optical characteristic of the LCLV were measured. The results show that when the voltage is changed in series, the transmittance of the incidence linearly polarized light will alter continuously and nonlinearly, and the twist degree may control the nonlinear change. And the 180° twist of the LC molecule will make the curve of electro-optical characteristic of the LCLV steeper, which allows multicenter matrix addressing LCLV to have more matrix lines and higher contrast.
		2007 Vol. 27 (03): 432-434 [Abstract] ( 1706 ) PDF (571 KB) ( 559 )

	435	Effects of Spectral Pretreatment on the Prediction of Crystallinity of Wood Cellulose Using Near Infrared Spectroscopy
		JIANG Ze-hui, FEI Ben-hua, YANG Zhong^*
		The crystallinity of wood has an important effect on the physical, mechanical and chemical properties of cellulose fibers. The aims of this study were to investigate the ability of near infrared spectroscopy (NIR) to predict the crystallinity of wood cellulose and the effect of spectral pretreatment on the prediction of crystallinity in wood cellulose using near infrared spectroscopy (NIR). Near infrared diffuse reflectance spectra were collected from wood powder with a fiber-optical probe and the crystallinity of wood was determined by X-ray diffractometer (XRD) in this experiment. The results showed that near infrared spectroscopy coupled with partial least square (PLS) regression could be correlated with the crystallinity of plantation wood, and the ability of NIR prediction based on original spectra was better than that based on the first derivative or second derivative treated spectra. There was a significant correlation between NIR spectra and XRD determined crystallinity with a correlation coefficient of 0.950 and a low RMSEP. Near infrared spectroscopy coupled with multivariate data anlaysis has proven to be an accurate and fast method for rapid prediction of wood crystallinity.
		2007 Vol. 27 (03): 435-438 [Abstract] ( 379 ) PDF (777 KB) ( 521 )

	439	Application of KNN Method to Cancer Diagnosis Using Fourier-Transform Infrared Spectroscopy
		LI Xiang¹,LI Qing-bo¹,XU Yi-zhuang^2*,ZHANG Guang-jun¹,WU Jin-guang²,YANG Li-min²,LING Xiao-feng³, ZHOU Xiao-si³,WANG Jian-sheng⁴
		Early diagnosis and early medical treatments are the keys to save the patients′ lives and improve their living quality. Fourier transform infrared (FTIR) spectroscopy can be used to distinguish malignant from normal tissues at the molecular level. In the present paper, programs were made with chemometrics method of pattern recognition to classify unknown tissue samples. Spectral data were pretreated by using smoothing, SNV and RHM method. Cross validation was used to test the discrimination effect of KNN method. A total of 63 gastric tissue samples were employed in this study, including 26 cases of normal tissue samples and 37 cases of cancerous tissue samples. The recognition results of the KNN method showed that the correctness of classification achieved 91.7%.
		2007 Vol. 27 (03): 439-443 [Abstract] ( 1110 ) PDF (671 KB) ( 458 )

	444	Study on the Antioxidation Property of Engine Oil by Infrared Spectroscopy
		LI Zi-cun, FENG Xin-lu, XIONG Gang
		The relationship between the engine oil’s infrared spectroscopic characteristics and its antioxidation property was studied, and the technical method to obtain the spectral information in accordance with the contribution of lubricating-oil composition to antioxidation property is presented. Quantitative self-organization neural networks was developed by combining the advantages of BP neural networks and those of self-organization neural networks. Quantitative self-organization neural networks possesses both the qualitative clustering function of self-organization neural networks and the quantitative analysis function of BP neural networks, and features better robustness, so the quantitative analysis result of quantitative self-organization neural networks was better than that of BP neural networks. The result has provided a kind of new technology means for fast testing lubricating-oil performance.
		2007 Vol. 27 (03): 444-447 [Abstract] ( 1688 ) PDF (631 KB) ( 455 )

	448	Application of Long Open Path FTIR System in Ambient Air Monitoring
		XU Liang,LIU Jian-guo,GAO Min-guang,LU Yi-huai,WEI Xiu-li,ZHANG Tian-shu,ZHU Jun,CHEN Jun
		A long open path fourier transform infrared spectroscopy system is described. The 250-meter-optical-path configuration is combined with a Fourier transform spectrometer of 1 cm^-1 resolution. With an active blackbody source, the transmittance spectrum of the atmosphere could be measured by the system. And then, it was fitted with the nonlinear least square algorithm to calculate the average concentrations of the constituents in the path. Measuring result of some gases such as CH₄,CO, N₂O and CO₂ in polluted air was presented in the experiment part and the RMS of the residuals was <1%. The result shows that the system is stable and rapid, and can be easily aligned. It is suitable for research work on some infrared active important atmospheric constituents.
		2007 Vol. 27 (03): 448-451 [Abstract] ( 1197 ) PDF (898 KB) ( 496 )

	452	Measurement of CO₂ Using an Open-Path FTIR and the Factor of Influence
		WEI Xiu-li, LU Yi-huai, GAO Min-guang, LIU Wen-qing, XU Liang, ZHANG Tian-shu, ZHU Jun
		In the remote-sensing experiments of CO₂ in Beijng, the authors found that the higher concentration of CO₂ in autumn is caused by the CO₂ emission by the traffic sector during the day time. During the day time, the concentratration of CO₂ is comparatively lower because of the photochemistry and the transportation of troposphere. And the concentration of CO₂ is about 410 μg·mL^-1. At night the fossil fuel power plants will be taken as a model for the source of CO₂,so the concentration of CO₂ is about 610 μg·mL^-1 or higher. The carbon increment from increased photosynthesis is greater than the increment in ecosystem carbon stocks. The higher the temperature, the lower the CO₂ concentration. And the lower the rate of wind, the higher the concentration of CO₂ also. Besides, the concentration of CO₂ is affected by some other weather factors.
		2007 Vol. 27 (03): 452-455 [Abstract] ( 2289 ) PDF (704 KB) ( 465 )

	456	*A Study of Depositing Amorphous SiO_x Films vis* Magnetron Sputtering by FTIR Method**
		WANG Shen-wei,YI Li-xin^*,SU Meng-chan, CHEN En-guang, WANG Yong-sheng
		Amorphous SiO_x films were deposited on Si substrates by magnetron sputtering technology. Three absorption bands of the SiO_x films were detected by Fourier transform infrared spectroscopy. The authors′ investigation shows that Si-O_y-Si_4-y(0<y≤4), Si₆ rings, and non-bridging oxygen hole center defects were formed in the films with the sputtering power increasing. The appearance of the three absorption bands was due to the stretching and asymmetric stretching vibration of Si—O—Si bond and the vibration of O—Si—O bond corresponding to the above mentioned structures in the SiO_x films.
		2007 Vol. 27 (03): 456-459 [Abstract] ( 1172 ) PDF (1594 KB) ( 501 )

	460	Studies on Acidity of Chloroaluminate Ionic Liquids and Its Catalytic Performance for Alkylation of Benzene with Long-Chain Alkenes
		WU Qin^{1, 2},DONG Bin-qi¹,HAN Ming-han^1*,XIN Hong-liang¹,ZUO Yi-zan¹,JIN Yong¹
		The acidity of chloroaluminate ionic liquids (ILs) was determined by using pyridine and acetonitrile as IR spectroscopic probes. Based on the characterization method of acidity of solid acid, IR ν_CCN absorption frequencies of pyridine in ionic liquids were assigned. By using the pyridine probe, it was found that when the anion molar composition x of ionic liquid varies within 0.4-0.5, ionic liquids exhibit weak Lewis acidity. Strongly basic molecular pyridine can be used as a probe to measure the acidity of ionic liquids whether their acidity is strong or weak, while weakly basic molecular acetonitrile is only fit for strong acid. In addition, the Lewis acidity-activity correlation for the chloroaluminate ionic liquids catalyst in the alkylation reaction was studied. The weakly acidic ILs with x≤ 0.5 does not exhibit any catalytic activity in the alkylation reaction. When the anion molar composition x is more than 0.55, the activity of ionic liquids is greatly enhanced due to the increase in the strength of the strong Lewis acidic species Al₂Cl^-₇. But with the increase in alkenes conversion, the selectivity of 2-alkylbenzene is slightly reduced.
		2007 Vol. 27 (03): 460-464 [Abstract] ( 2554 ) PDF (1207 KB) ( 529 )

	465	Identification of Reconstructed Milk in Raw Milk Using Near Infrared Spectroscopy
		HAN Dong-hai, LU Chao, LIU Yi, PI Fu-wei
		Feasibility of reconstituted-milk identification in raw milk was investigated using near infrared spectroscopy. And the applicability of MSC for reconstituted-milk identification was discussed. The discrimination analysis calibration was developed by SIMCA method, and the result indicated that the accuracy of detection is 100%，when the content of reconstructed Milk is above 20%, while for the 10% reconstituted milk, the accuracy of detection is 96.7%; On the other hand, the quantity models of reconstituted milk were calibrated by partial least squares regression (r=0.971, RMSECV=7.76%, RPD=5.13), and there were no significant differences between actual value and reconstituted milk prediction value by t test (p=0.01). All of these suggested that NIRS has good potential to detect adulteration of raw milk with reconstituted milk.
		2007 Vol. 27 (03): 465-468 [Abstract] ( 1824 ) PDF (892 KB) ( 548 )

	469	Optical Spectral Verification of A Harmful Impurity to Palladium Catalyst
		CHEN Hua-xiong, CHEN Shu-sen, HU Feng-xia, LI Li-jie, YANG Rong-jie
		The condensation of glyoxal with benzylamine leaded to hexabenzyl-hexaazaisowurtzitane(HBIW) with formic acid catalyst, and at the same time some side products were produced. Some impurities in HBIW would be harmful to the palladium catalyst used in the hydrogenolysis of HBIW, subsequently resulting in the low yield or failure of the catalytic reaction. The impurities in hexabenzylhexaazaisowurtzitane were distilled by means of recrystal technic, which were isolated by preparative chromatograph. The structure of the main impurity was studied with FTIR, ¹H-NMR, ESI-MS, and element analysis.The result shows that the structure is comfirmed as N,N’-dibenzyl-oxalamide. which was synthesized in the way reported in the literature, and was charactered by FTIR, ¹H-NMR and EI-MS . And the optical spectra data of the sample synthesized and the substance isolated from the impuries were the same, testifying that the substance isolated was N,N’-dibenzyl-oxalamide ulteriorly. N,N’-dibenzyl-oxalamide was added in the hydrogenolysis system of HBIW catalyzed by Pd catalyst. The result shows that N,N’-dibenzyl-oxalamide can reduce the activity of Pd catalyst, and when the quantity of N,N’-dibenzyl oxalmine added achievs 0.9% of the weight of HBIW, the reaction of catalytic hydrogenolysis fails.
		2007 Vol. 27 (03): 469-472 [Abstract] ( 1139 ) PDF (531 KB) ( 478 )

	473	Measurement of Moisture and Oil Content in Gross Cottonseed Based on Near-Infrared Reflectance Technique by Open Detecting Mode
		ZHANG Xiao-fang¹,YU Xin¹,YAN Ji-xiang¹,NI Yong²
		In the present paper, the moisture and oil content in gross cottonseed analyzed by near infrared reflectance spectroscopy (NIRS) technique was studied. Including the basic theory of NIRS and advantage of open detecting mode. The calibrations of the moisture and oil content in gross cottonseed were performed. The precision and accuracy of the moisture and oil content were clarified by random sampling. The correlation coefficient is high: 0.965 for moisture and 0.953 for oil. The calibration errors (SECV) for the moisture and oilcontent in gross cottonseed are 0.226 and 0.391 repectively. The result of NIRS prediction has been proved that the NIRS method can replace the normal analysis method completely. Further studies on the calibration of oil content in nucleus and rate of nucleus in gross cottonseed were carrced out with part of samples. It has been proved that NIRS method can be applied to detect the oil content in nucleus and rate of nucleus in gross cottonseed.
		2007 Vol. 27 (03): 473-476 [Abstract] ( 1495 ) PDF (647 KB) ( 422 )

	477	Research on the Making Process of Connective Seal by Using FTIR Imaginge System
		YANG Sheng-jun, ZOU Duo-sheng, SHI Lin
		Seal’s determination is the important part of forensic science. In order to better beat criminality, the authors brought forward a new method to study the making process of connective seal fast and nondestuctively by means of FTIR imagine System. Combining the surface scan and reflectance mode, the different part of connective seal was scaned firstly, then according to the characteristic absorption proportion of stamp-pad ink it was determined whether the connective seal was one-off made or not. The results showed that if the connective seal was one-off made, the characteristic absorption proportion was equal. This method is rapid, accurate, impersonal and nondestructive.
		2007 Vol. 27 (03): 477-480 [Abstract] ( 1544 ) PDF (1298 KB) ( 462 )

	481	Quantitative Prediction of Active Constituents in Rhubarb by Near Infrared Spectroscopy and Radial Basis Function Neural Networks
		YU Xiao-hui¹,ZHANG Zhuo-yong^1*,MA Qun²,FAN Guo-qiang²
		Near infrared spectroscopy (NIRS) and artificial neural networks were used for the quantitative prediction of four active constituents in rhubarb: anthraquinones, anthraquinone glucosides, stilbene glucosides, Tannins and related compounds. The near infrared spectra of the samples were acquired in 1 100-2 500 nm from powdered rhubarb samples. Four calibration models using radial basis function neural networks (RBFNN) were set up to correlate the spectra with the values determined by HPLC. RMSECVs of the models for the constituents studied were 2.572, 0.442, 2.794 and 9.438, respectively. RMSEPs for the were 4.598, 8.657, 0.458 6, and 5.106, respectively. The method is fast, and satisfactory results were obtained. The proposed method can be used for determining the active constituents in Chinese herbal medicine.
		2007 Vol. 27 (03): 481-485 [Abstract] ( 1869 ) PDF (1156 KB) ( 513 )

	486	Common and Variant Peak Ratios in IR Fingerprint of Ilex Kudingcha with Duel-Index Sequence Analysis
		PANG Tao-tao,DU Li-ming^*
		In the present article, two new indexes, common peak ratio and variant peak ratio, were applied and their values were calculated by means of sequential analysis, in which each Ilex Kudingcha sample′s IR fingerprint spectra were set up and the common peak ratio sequences were arranged in order of size in comparision with other samples. As a result, the method could be used to distinguish Ilex Kudingcha of different areas and classes. The duel-index sequential analysis enables us to distinct two or more herb’s IR fingerprints. It is a new method to analyze IR fingerprint spectra, and can used in line with the characteristics of traditional Chinese medicine.
		2007 Vol. 27 (03): 486-489 [Abstract] ( 2069 ) PDF (528 KB) ( 450 )

	490	Analysis of Saponin in Chinese Ginsengs by NIR Spectroscopy
		LU Yong-jun^1,3,QU Yan-ling¹,FENG Zhi-qing¹,CAO Zhi-qiang²,SONG Min¹
		In the present paper the saponin in Chinese ginseng was analysed quantitatively by using near infrared spectroscopy. The spectral characteristics of the primary ingredients in Chinese ginseng were obtained by applying second derivative, MSC(Multiple Scatter Correction), and correlation chart to the original absorbance spectra of ginseng. Meantime, in combination with the PLS algorithm the calibration process was performed for the quantitative analysis of saponin in Chinese ginseng. The result obtained shows a fine precision of the method, with RMSEC of 0.154% and correlation coefficient of 0.982 8.
		2007 Vol. 27 (03): 490-493 [Abstract] ( 1250 ) PDF (989 KB) ( 512 )

	494	Estimation of Soluble Solids Content of Apple Fresh Juice by FTNIR Spectroscopy
		LU Hui-shan, YING Yi-bin^*,FU Xia-ping, YU Hai-yan, LIU Yan-de, TIAN Hai-qing
		The feasibility of Fourier transform near infrared (FTNIR) spectroscopic technology for rapid quantifying the soluble solids content (SSC) of apple fresh juice was investigated by means of spectral transmittance technique. A total of 60 juice samples were used to develop the calibration models. The relationship between laboratory SSC and FTNIR spectra of apple fresh juices was analyzed via principal component regression (PCR) and partial least squares (PLS) regression method using TQ 6.2.1 quantitative software. Models based on different spectral ranges were compared. Performance of different models was assessed in terms of root mean square errors of prediction (RMSEP) and correlation coefficients (r²) of validation set of samples. The best prediction models had a RMSEP of 0.603 ⁰Brix and correlation coefficient (r²) of 0.997 for SSC. The results show that FTNIR transmittance technique is a feasible, accurate and fast method for non-invasive estimation of fruit fresh juice soluble solids content.
		2007 Vol. 27 (03): 494-498 [Abstract] ( 1137 ) PDF (818 KB) ( 498 )

	499	Measurement of Chlorophyll Content in Pepper Leaves by Near Infrared Analysis
		JIANG Huan-yu,YING Yi-bin^*
		The objective of this research was to study the potential of NIR diffuse reflectance spectroscopy for nondestructive measurement of chlorophyll content in pepper leaves. Statistical models were developed using partial least squares (PLS) and principal component regression (PCR) analysis technique, and four different mathematical treatments were used in spectra processing: smoothing, baseline correction, different wavelength range, and first and second derivative. The results showed that smoothing and baseline correction of NIR original spectra had little influence on spectral data analyzing, second derivative spectra showed better results than first derivative spectra and original spectra, while PLS analysis could get better modeling results than PCR analysis. The best calibration model was obtained after removing four outlier samples, and processing spectra with second derivate in the full wavelength range, with the highest correlation coefficient (r=0.975 37), a relative lower RMSEC value (2.33), and a small difference between RMSEC (2.33) and RMSEP (5.49). It can be concluded that NIR technique is a feasible, nondestructive way to predict the chlorophyll content in pepper leaves.
		2007 Vol. 27 (03): 499-502 [Abstract] ( 1546 ) PDF (495 KB) ( 510 )

	503	Fast Discrimination of Varieties of Bayberry Juice Based on Spectroscopy Technology
		CEN Hai-yan, BAO Yi-dan^*,HE Yong
		Visible and near-infrared reflectance spectroscopy (NIRS) was applied in the discrimination of bayberry juice varieties. Characteristics of the pattern were analyzed by partial least square. Through full cross validation, nine principal components presenting important information of spectra were confirmed as the best number of principal components. Then, these nine principal components were taken as the input of BP neural network. Through the training and prediction, three different varieties of bayberry juice were classified according to the outputs of BP neural network. Besides, the work on building mathematic model and optimizing the algorithm was completed. In the process of BP neural network modeling, 60 samples were gained from the local market and each species has 20 samples. Fifty one samples were used as the training set and the reminder samples (total 9 samples) formed the prediction set. With a proper network training parameter, a 100% accuracy was obtained by BP neural network. Thus, it is concluded that PLS analysis combined with BP neural network is an available alternative for pattern recognition based on the spectroscopy technology.
		2007 Vol. 27 (03): 503-506 [Abstract] ( 1190 ) PDF (560 KB) ( 478 )

	507	Application of Reflection Infrared Sensor to Intelligent Water-Saving System
		FU He-ping
		Utilizing reflection type infrared sensor and small electronic devices(monostable multivibrator), the authors have developed the intelligent water-saving control system. This system can discern whether someone enters the lavatory, produce the signal of washing according to the cirumstances, drives the electromagnetic valve to open, and pour water into the floater type cistern. After filling two cisterns of water enough for cleaning, it’ll cut off the power in the electromagnetic valve automatically. This system has achieved the sanitary and economical purpose, using this system can economize water by about 70%. This system features few components, low costs, rational structure, reliable work, easy installation, and convenient maintenance, so it has a wide application prospect.
		2007 Vol. 27 (03): 507-509 [Abstract] ( 2349 ) PDF (500 KB) ( 445 )

	510	Interaction of ctDNA and EGCG-Cu(Ⅱ) Complex
		WANG Dong-dong^{1, 2},MENG Qing-xiang¹,CHEN Dan-dan¹,REN Li-ping^1*,ZHOU Zhen-ming¹,MU Hao-jie¹
		The fluorescence spectra, absorption spectra and resonance light scattering (RLS) spectra of EGCG-Cu(Ⅱ) complex with nucleic acid were studied. Compared with the spectrum of EGCG-Cu(Ⅱ), the spectrum of EGCG-Cu(Ⅱ)-DNA system showed the following features: (1) in the fluorescence spectra, the peak did not shift, but the fluorescence intensity was enhanced and was proportional to the concentration of DNA. Under suitable conditions, EGCG-Cu(Ⅱ) promised to be a probe for detecting DNA; (2) Absorption spectra of EGCG-Cu(Ⅱ)-DNA system showed hyperchromicity; and (3) RLS of EGCG-Cu(Ⅱ)-DNA system was enhanced also. A mechanism was suggested that the combination of nucleic acid and EGCG-Cu(Ⅱ) complex was caused by intercalation and electrostatic force. An intercalation interaction between EGCG-Cu(Ⅱ) and DNA enhanced the fluorescence intensity. Hyperchromicity of absorption spectra and RLS occurred because of electrostatic force. The effects of acid and ionic strength on fluorescence intensity were also discussed.
		2007 Vol. 27 (03): 510-513 [Abstract] ( 1150 ) PDF (434 KB) ( 461 )

	514	Estimations of Chlorophyll and Water Contents in Live Leaf of Winter Wheat with Reflectance Spectroscopy
		JI Hai-yan^1，2,WANG Peng-xin²,YAN Tai-lai^1，2
		For estimating the yield of wheat, and for crop growth monitoring by using hyperspectral remote sensing, it is very important to quantitatively determine the chlorophyll and water contents in live leaf of winter wheat. In the range of 350-1 650 nm, the reflectance spectrum of winter wheat’s leaf in different growth periods were scanned by ASD FieldSpec^® Pro FR portable spectrometer and LI-COR 1800 integrating spheres. Partial least squares method was used to develop the quantitative analysis models for chlorophyll and water contents with reflectance spectroscopy. The model of chlorophyll content with reflectance spectroscopy was built in the range of 400-750 nm, and the results show that the correlation coefficient between the estimated values and the real values is 0.898, and relative standard deviation is 13.6%. The model of water content with reflectance spectroscopy was built in the range of 1 400-1 600 nm, and the results indicate that the correlation coefficient between the estimated values and the real values is 0.999, and relative standard deviation is 0.3%. These results are satisfying in agricultural production.
		2007 Vol. 27 (03): 514-516 [Abstract] ( 251 ) PDF (428 KB) ( 533 )

	517	*Interaction between Carbaryl and Calf Thymus DNA Enhanced via* Cu²⁺**
		ZHANG Xiao-ming¹,LI Guo-xue²,LI Dong-hao¹,MIN Shun-geng¹,SUN Ying^1*
		The interaction between carbaryl and calf thymus DNA with Cu²⁺ was studied using fluorescence spectroscopy(FS) and UV spectrum. The quenching process was proved to be single static quenching and the quenching constant decreases with temperature increasing. The experimental results showed that the carbaryl can be intercalated into the twin-screw structure of calf thymus DNA, forming ctDNA-carbaryl adducts. The UV spectrum showed that ctDNA can also result in the increasing color and red shift. In the presence of Cu²⁺,it was discovered that the apparent association constant (Kα) increases and the binding sites number (n) of carbaryl molecules on ctDNA obviously increases. The interaction of the carbaryl and ctDNA was driven mainly by electrostatic force which was enhanced by Cu²⁺,thus the contribution of ΔH to ΔG increased in the presence of Cu²⁺. So the interaction between carbaryl and calf thymus DNA was enhanced via Cu²⁺.
		2007 Vol. 27 (03): 517-520 [Abstract] ( 1610 ) PDF (463 KB) ( 442 )

	521	Study on Exploring for Oil and Gas Using Reflectance Spectra of Surface Soils
		XU Da-qi, NI Guo-qiang, SHEN Yuan-ting, HE Jin-ping, JIANG Li-li
		Reflectance spectra in the visible and near-infrared wavelength region provide a rapid and inexpensive means for determining the mineralogy of samples and obtaining information on chemical composition. Hydrocarbon microseepage theory sets up a cause-and-effect relation between oil and gas reservoirs and some special surface alterations. Therefore the authors can explore for oil and gas by determining the reflectance spectra of surface alterations. This determination can be fulfilled by means of field work and hyperspectral remote sensing. In the present paper, firstly a macroscopical feature of reflectance spectra of typical observation points in gas fields is presented. Then a method is proposed in order to provide surface distribution information (e.g., classification) of alterations based on the reflectance spectra determined from the field, and obtain anomaly zones of the special alterations. This method has been applied to the analysis of the reflectance spectra determined in the field of Qinghai ×× area, and the classification results tally with the existent gas fields in this area. A robustness analysis of the method shows that good results can be obtained when different combinations of parameters, such as samples, study band regions and thresholds, have been chosen in the process of classification. The valid classification samples and algorithms can be provided for the oil and gas exploration in progress in this area using NASA experimental hyperion hyperspectral satellite.
		2007 Vol. 27 (03): 521-524 [Abstract] ( 1778 ) PDF (1570 KB) ( 443 )

	525	Influence of Inert Nuclei(La³⁺,Y³⁺ and Gd³⁺) on Fluorescence of Europium Complex with Phenylglyoxylic Acid and Phenathroline
		ZHANG Yan-hui¹,YAN Jian-bo³,YAN Xiao-qi¹,PEI Juan¹,GENG Xiao-tian¹,ZHAO Ying²,WANG Yun-you³, SUN Bo^1*
		Three series of dinuclear complexes(Eu_xRE_1-xL₃phen) of phenylglyoxylic acid and phenathroline with different molar ratios of Eu³⁺ to inert nuclei (RE=La³⁺,Y³⁺ and Gd³⁺) were synthesized. Their excitation and emission spectra were studied. The excitation spectra showed that the optimum excitation wavelengths of the complexes are all in the range of 350-360 nm, which belong to the excitation peaks of ligands, and the weak excitation peak of Eu³⁺ is at about 398 nm; The emission spectra showed that there are five emission bands at about 583，595，617，654 and 703 nm respectively for all the complexes, due to ⁵D₀—⁷F₀,⁵D₀—⁷F₁,⁵D₀—⁷F₂,⁵D₀—⁷F₃ and ⁵D₀—⁷F₄ transitions of Eu³⁺ respectively. The authors also found that the emission peak positions of Eu³⁺ shift the most in the complexes Eu_xLa_1-xL₃phen, the position of ⁵D₀—⁷F₂ transition shifts 5.2 nm when the molar ratio of Eu³⁺∶La³⁺ is 0.3∶0.7, but the addition of Y³⁺ and Gd³⁺ makes the emission peak positions of Eu³⁺ change less than that of La³⁺. Meanwhile the luminescence intensity of Eu³⁺ can be most enhanced by La³⁺ in all the complexes. The conclusion we found in the present paper could help search the luminescence materials with low cost and good luminescence properties.
		2007 Vol. 27 (03): 525-529 [Abstract] ( 525 ) PDF (521 KB) ( 454 )

	530	Study on the Fluorescence Characteristics of the Interaction between DNA and Two Halogenated Fluoresceins
		LI Jian-qing^1，2,HOU Xiao-li¹,WEI Yu-xia¹,DONG Chuan^1*
		The fluorescence characteristics of the interaction between DNA and two halogen fluoresceins, tetrabromofluorescein (TBF) and tetrachlorotetrabromofluorescein (TTF), were studied. The result showed that for TBF, λ_ex/λ_em were 518 nm/540 nm, and for TTF, they were 540 nm/560 nm. The intensity of fluorescence of TBF and TTF changed in the presence of DNA. The fluorescence quenching studies indicated that TBF binds to DNA in the groove and the polarization experiments showed that TBF is intercalated into the DNA base pairs. So the comprehensive interaction mode of TBF with DNA may be that TTF is intercalated into DNA base pairs and binds to DNA in the groove. Both the fluorescence quenching studies and the polarization experiments indicated that TTF is intercalated into the DNA base pairs. It was also found that ionic strength could affect the interaction of TBF/TTF and DNA. The binding constants K are 1×10⁶ L·mol^-1 and 2×10⁶ L·mol^-1,and the binding site numbers n are 0.62 and 0.16 for TBF and TTF, respectively.
		2007 Vol. 27 (03): 530-533 [Abstract] ( 1593 ) PDF (775 KB) ( 404 )

	534	Study on the Fluorescence Characteristic and Mechanism of Ether-Water Solution
		SONG Chun-yuan¹,LI Rong-qing¹,GE Li-xin¹,LIU Ying^1,2*
		The fluorescence spectra of low concentration diethyl ether-water solution excited by different UV light, and the variation rule of the fluorescence characteristic along with the incidence light wavelength and the solution concentration were studied. Also the emission mechanism together with the spectral characteristic were analyzed. The result shows that the ether solution exhibits an obvious fluorescence peak nearby 306 nm, for which the best excitation wavelength is 245 nm, moreover, there is an inferior peak at 292 nm. The shape of the fluorescence spectrum is invariable ultimately along with the change in excitation light wavelength, and the peak value assumes the Gaussian distribution with the stimulation light wavelength. Meanwhile the emission intensity of the inferior peak and that of the prominent peak are in competition with each other. With increasing the concentration, the fluorescence intensity at 306 nm strengthens linearly, and after increasing the concentration to 7%, concentration-quenching occurs, so the intensity linearly weakens. The findings can provide the reference for detecting concentration and purity of the virulent and anesthetic matter-diethyl ether and so on.
		2007 Vol. 27 (03): 534-538 [Abstract] ( 575 ) PDF (1034 KB) ( 437 )

	539	Synthesis, Characterization and Fluorescence of Eu³⁺,Tb³⁺ Complexes with 2-Thiophencarboxylic Acid and 2,2′-Bipyridine
		BAO Jin-rong¹,ZHAO Yong-liang¹,ZHU Xiao-wei²
		Two binary complexes of Eu³⁺ and Tb³⁺ with 2-thiophene carboxylic acid and two ternary complexes of Eu³⁺ and Tb³⁺ with 2-thiophene carboxylic acid(L)-2, 2′-bipyridine were synthesized. By elemental analysis, rare earth coordination titration，and molar conductivities studies，the compositions of the complexes were suggested as REL₃·2H₂O and REL₃L′·C₂H₅OH(RE=Eu, Tb, L=2-thiophene carboxylic acid, L′=2, 2′-bipyridine) respectively. The ligands and coordination compounds were studied by means of IR spectra，¹H NMR and fluorescence excitation and emission spectra. IR spectra and ¹H NMR studies indicate that 2-thiophene carboxylic acid was bonded with RE(Ⅲ) through oxygen atoms in the carboxyl group, and 2, 2′-bipyridine ligand was bonded to RE(Ⅲ) through nitrogen atoms. The fluoresence spectra showed that the fluorescence emission intensity of ternary complexes was stronger than that of the binary complexes.
		2007 Vol. 27 (03): 539-542 [Abstract] ( 1192 ) PDF (421 KB) ( 496 )

	543	Spectral Study of Monoisothiocyanato-Substituted 3∶1 Asymmetrical Phthalocyanine Zinc(Ⅱ)
		CHEN Wei^{1, 2},DUAN Wu-biao^1*,HE Chun-ying¹,ZUO Xia¹,WU Yi-qun¹
		Electronic absorption spectra of three monoisothiocyanato-substituted asymmetrical phthalocyanine zinc(Ⅱ), 2-isothiocyanato-9,10,16,17,23,24-alkyloxyphthalocyanine zinc(Ⅱ) [(RO)₆(NCS)PcZn(Ⅱ)] (R=n-C₄H₉,n-C₅H₁₁,n-C₁₀H₂₁), were measured in five organic solvents. The effect and order of the substitute groups and solvents were studied by electronic absorption spectra. The changes of λ_max data are very small between monoamino- and monoisothiocyanato-substituted asymmetrical phthalocyanines. The order of λ_max data is listed here, CHCl₃＞CH₂Cl₂＞toluene in non-coordination solvents; DMF＞THF in O-coordination solvents. The fluorescence spectra of these complexes were measured in organic solvents at the same time. The effect and order of the substitute groups, solvents and concentrations were studied on the maximum wavelength of emission and fluorescence intensity. The λ_{em, max} data of fluorescence emission are among 690-700 nm. The order of λ_{em, max} data is listed here, DMF＞THF in O-coordination solvents and almost the same in non-coordination solvents. The fluorescence intensity is very strong in DMF and THF. The order of fluorescence intensity is listed here, DMF＞THF in O-coordination solvents; toluene＞CH₂Cl₂＞CHCl₃ in non-coordination solvents. They have special fluorescent effect and should be expected to become a photosensitizer of photodynamic therapy in future.
		2007 Vol. 27 (03): 543-546 [Abstract] ( 1498 ) PDF (842 KB) ( 480 )

	547	Study of Scavenging Activity of Sorghum Pigment to Hydroxyl Free Radicals by Fluorimetry
		ZHANG Hai-rong,WANG Wen-yan
		A natural product, sorghum pigment, consists of a number of important flavonoid derivatives, occurrs on the seed capsules or in the stems of many sorghums, and is widely applied in different fields of food, cosmetic and dyeing industries, It is important for scavenging hydroxyl free radicals and protection of human healthiness. Scavenging capacities of hydroxyl free radicals with sodium nitrite, quercetin and sorghum pigment were comparatively researched by fluorimetry, and the model of hydroxyl free radicals produced is based on the reaction of Cu²⁺-catalyzed oxidation of ascorbic acid in the presence of hydrogen peroxide. The hydroxyl radicals react with benzoic acid, forming a fluorescent product, and the fluorescence intensity was determined by the concentration of hydroxybenzoic acid. The experimental results show that the sodium nitrite, quercetin and sorghum pigment have a quantity-effect relationship for scavenging hydroxyl free radicals, and sodium nitrite and quercetin in comparison with sorghum pigment have high antioxidant capacity. Finally, the quenching mechanisms were explored with sodium nitrite, sorghum pigment, and quercetin respectively. The sorghum pigment and sodium nitrite feature a dynamic quenching processes, while quercetin shows a static quenching processes. A reference method was provided for reasonable exploitation and utilization of sorghum pigment.
		2007 Vol. 27 (03): 547-551 [Abstract] ( 614 ) PDF (997 KB) ( 435 )

	552	Selected Enhancement of Different Order Stokes Lines of SRS by Using Fluorescence of Mixed Dye Solution
		ZUO Hao-yi, GAO Jie, YANG Jing-guo
		A new method to enhance the intensity of the different orders of Stokes lines of SRS by using mixed dye fluorescence is reported. The Stokes lines from the second-order to the fifth-order of CCl₄ were enhanced by the fluorescence of mixed R6G and RB solutions in different proportions of 20∶2, 20∶13 and 20∶40(R6g∶Rb), respectively. It is considered that the Stokes lines from the second-order to the fifth-order are near the fluorescence peaks of the three mixed solutions, and far from the absorption peaks of R6g and Rb, so the enhancement effect dominates the absorption effect; as a result, these stokes lines are enhanced. On the contrary, the first-order stokes line is near the absorption peak of RB and far from the fluorescence peaks of the mixed solutions, which leads to the weakening of this stokes line. It is also reported that the first-order, the second-order and the third-order Stokes lines of benzene were enhanced by the fluorescence of mixed solutions of R6g and DCM with of different proportions. The potential application of this method is forecasted.
		2007 Vol. 27 (03): 552-555 [Abstract] ( 1110 ) PDF (370 KB) ( 484 )

	556	Research on Characterization Analysis of Synchronous Fluorescence Spectra of Living Phytoplankton
		TANG Xiao-jing¹,ZHANG Qian-qian^1*,LEI Shu-he²,SU Rong-guo¹,ZHU Chen-jian¹,WANG Xiu-lin¹
		The synchronous fluorescence spectra of five phytoplankton species growing under three temperatures (25, 20 and 15 ℃)and three illuminations(7 000，4 100 and 1 100 Lx)were measured and processed by multinomial smoothness and autoscaling to obtain the characteristic spectra. Principal component analysis was used to obtain standard spectra. The analysis shows that at different temperatures, the characteristic spectra of Skeletonema costatuma, Isochrysis galbana, and Platymonas helgolanidica show high similarities, while the spectra similarities of Alexandrium tamarense and Gymnodinium stein are not as good as the above three species. The standard spectrum of Skeletonema costatuma, which belongs to Bacillariophyta, is quite different from those of Alexandrium tamarense and Gymnodinium stein, which belong to Dinophyta.
		2007 Vol. 27 (03): 556-559 [Abstract] ( 1593 ) PDF (997 KB) ( 530 )

	560	Spectra Derivative Kalman Filter Method for Simultaneous Spectrophotometric Determination of Phenol, 2-Chlorophenol and 2,4-Dichlorophenol
		WANG Qiang^1，2,MA Pei-sheng¹,HU Kai-tang¹,JIA Qing-zhu^1，2
		A novel and stable spectra derivative Kalman filter UV spectrophotometric method was proposed, and applied to the simultaneous determination of ternary mixture of phenol, 2-chlorophenol and 2,4 dichlorophenol successfully. The reasons for using spectra derivative is that it contains more information including absorbance and its change with wavelength; the obviously different signals can be caught more conveniently at the position of absorbent overlap. The noise from experiment and the errors from transfer model can be solved by Kalman filter. Calibration set with 30 standard solutions (range of 1-10 mg·L^-1) and 61 wavelengths (260-290 m, 0.5 nm slit width) was used for each sample. The exact value of absorbance derivative was obtained from regressed simulation for the extended 8th order polynomial, and the standard work matrix of derivative spectra Kalman filter was performed from partial least-squares method. The linear discrete Kalman filter was applied to the test. The recovery experiment showed that the derivative spectra Kalman filter simultaneous determination of mixture for phenol, 2-chlorophenol and 2,4 dichlorophenol is not only exact, but also stable.
		2007 Vol. 27 (03): 560-564 [Abstract] ( 1509 ) PDF (705 KB) ( 489 )

	565	Study on the Effect of Electric Field on the Secondary Structure of HRP by Circular Dichroism
		XU Qiang¹,YANG Ti-qiang^1*,AO Dun-ge-ri-le¹,YAO Zhan-quan²
		After the HRP was treated with different strength of electric field, the effect of electric field on the secondary structure of HRP was studied by circular dichroism . The results show that different electric field strength ranging from 1.0 to 6.0 kV·cm^-1 has a different effect on the relative contents of α-helix , β-sheet, β-turn and random coil of the HRP. As compared with the contrast, the relative contents of α-helix, β-turn and random coil decreased by 0.3%-11.4%, 1.7%-15.3% and 0.9%-20.4% respectively, while β-sheet content increased by 0.9%-82.7%. The electric treatment tends to transform the α-helix, β-turn and random coil into β-sheet for the HRP. The result of this study has important meaning to explain the biological effect of electric treatment seeds.
		2007 Vol. 27 (03): 565-568 [Abstract] ( 480 ) PDF (893 KB) ( 493 )

	569	Visible Transmittance Techniques for Rapid Analysis of Sugar Content of Fresh Navel Orange Juices
		LIU Yan-de^{1, 2},LUO Ji¹,OUYANG Ai-guo¹
		The feasibility of visible spectroscopic technology for rapid quantifying sugar content (SC) of navel orange fresh juices was investigated by means of spectral transmittance technique. A total of 55 juice samples were used to develop the calibration and prediction models. Calibration models based on different spectral ranges and different spectral pretreatment were compared in the precent research. Performance of different models was investigated in terms of root mean square errors of prediction (RMSEP) and correlation coefficient (r) of validation set of samples. The correlation coefficient of calibration model for SC was 0.965, the correlation coefficient of prediction model for SC was 0.857, and the corresponding RMSEP was 0.562. The results show that visible transmittance technique is a feasible method for non-invasive estimation of fruit juice SC.
		2007 Vol. 27 (03): 569-572 [Abstract] ( 1683 ) PDF (462 KB) ( 454 )

	573	Study and Spectrophotometric Determination of Nitrite with Sulfanilamide and N-Phenyl J-Acid System
		YU Yun, SHI Wen-jian^*,YANG Ning-fei
		In the present article, compounds used in diazotizing-coupling reaction were selected. The conditions and methods of diazotizing-coupling chromogenic reaction were studied. A new method of diazotizing-coupling spectrophotometry with sulfanilamide(p-aminobenzene sulfonamide) and J-Acid series dye intermediates (N-phenyl J-Acid, J-Acid, Di-J-Acid) to determine nitrite was developed. At room temperature, in the presence of potassium bromide, nitrous acid reacted with sulfanilamide in the medium of thin hydrochloric acid. Then diazonium salt reacted with N-phenyl J-Acid in the aqueous solution of sodium carbonate, forming coloured azo compounds. The apparent molar absorptivity was 4.63×10⁴ L·mol^-1·cm^-1. The Beer’s law was obeyed in the range of 0.003-0.7 mg·L^-1. The recoveries were in the range of 99.5%-101.6%. RSD was 2.1%. This method has been used for the determination of trace nitrite in the environmental water.
		2007 Vol. 27 (03): 573-576 [Abstract] ( 1162 ) PDF (814 KB) ( 430 )

	577	Microscopic Raman Imaging Spectra of Realgar and Light-Induced Degradation Products in Realgar
		XU Jia-lin¹,XU Xiao-xuan¹,ZHOU Xin-yong^1，2,ZHANG Pan¹,ZHANG Cun-zhou¹
		Light-induced degradation in realgar was studied by means of Raman spectroscopy. The result substantiated the following reaction: An additional S atom is inserted between the As atoms in the As₄S₄ molecule because As—As bonds are weaker than As—S bonds . It is likely that the resulting As₄S₅ molecule is too unstable to exist. Furthermore, an S atom in the As₄S₅ molecule is released from one of the equivalent As—S—As linkages in As₄S₅ which becomes the As₄S₄ molecular of pararealgar. After the As₄S₅ molecule is divided into an S atom (radical) and the As₄S₄ (pararealgar type) molecule, the free S atom is re-attached to another As₄S₄ (realgar type) molecule, reproducing an As₄S₅ molecule. The reproduced As₄S₅ molecule is again divided into an S atom (radical) and an As₄S₄ (pararealgar type) molecule. This cycle whereby realgar is indirectly transformed into pararealgar via the As₄S₅ molecule is promoted by light and repeated during light exposure.
		2007 Vol. 27 (03): 577-580 [Abstract] ( 1469 ) PDF (1043 KB) ( 473 )

	581	Research on Raman Spectra and Energy Transfer in Tm³⁺,Ho³⁺ Single and Co-Doped YVO₄ Crystals
		YANG Wen-qin,GUO Li-hua,FENG Shang-yuan,CHEN Jin-kai
		Raman spectra of Tm³⁺∶YVO₄,Ho³⁺∶YVO₄ and Tm³⁺∶Ho³⁺∶YVO₄ crystals were measured at room temperature by HRD-1 double grating monochromator, with the excitation laser beam were parallel and perpendicular to c axis, respectively. For the Ho³⁺∶YVO₄,it was found that the Raman spectrum excited by laser beam perpendicular to axis c is stronger than that by parallel excitation, and because 488 nm laser was very close to the absorption peak of Ho³⁺,the competition between absorption and scattering results in the 475 cm^-1 Raman mode weakening and external mode widening. It was also found that the most probable phonon energy focused on the 880 cm-1, which was brought about by the breathe mode of (VO₄)^3-. Like YAG, YVO₄ is a kind of crystal with high phonon energy too. Comparing the luminescence of Tm³⁺∶YVO₄ with that of Tm³⁺∶Ho³⁺∶YVO₄,it was found that the intensity of Ho³⁺ 2.09 μm is about 4/5 of that of Tm³⁺ 1.85 μm, which means the sensitization efficiency of Tm³⁺ to Ho³⁺ was as high as up to 80%, and since the overlap between the luminescence of Tm³⁺ with the absorption of Ho³⁺ is quite small, the radiative energy transfer between them was very less possible, and most probability, this process was via the nonradiative, phonon-aided cross-relaxation between Tm³⁺ and near resonance energy transfer between Tm³⁺ and Ho³⁺.
		2007 Vol. 27 (03): 581-584 [Abstract] ( 1866 ) PDF (1052 KB) ( 454 )

	585	Determination of Trace Elements in Drinking Water of Kashin-Beck Disease (KBD) Affected and Non-Affected Areas in Tibet by ICP-AES
		LI Shun-jiang^{1, 2},YANG Lin-sheng^1*,WANG Wu-yi¹,HU Xia³,LI Yong-hua¹,LI Hai-rong¹,WANG Li-zhen¹
		Trace elements (Cu, Zn, Fe, Ca, Mg, Mn, Al, K, Ba, P, Sr, Cd, V, Cr, Ni, Pb and Co) concentrations in the drinking water of KBD-affected and non-affected areas were measured using ICP-AES. The RSD of this method was between 0.80% and 2.83%, and the analytical results of the reference samples were consistent with the certified values. The method was simple and accurate. The results indicated that there is an obvious difference in trace elements concentrations between KBD-affected areas and non-afffected areas. The results provided a scientific theoretical basis to improve the conditions of drinking water in KBD-affected areas in Tibet.
		2007 Vol. 27 (03): 585-588 [Abstract] ( 2286 ) PDF (503 KB) ( 396 )

	589	Flame Atomic Absorption Spectrometric Determination of Copper and Lead in Beer after Preconcentration Using a Rapid Coprecipitation Technique with 8-Oxyquinoline
		SU Yao-dong,HAO Bing-bing^*,QIN Li-jun, GAN Li-hua
		A method was proposed for the determination of trace copper and lead in beer with flame atomic absorption spectrometry after preconcentration of copper and lead by rapid coprecipitation technique with 8-oxyquinoline-Mg(Ⅱ) using manganese as an internal standard at pH 9. The standard addition recovery of lead is between 97.6%-103.0%. The detection limit is 6.28×10^-3 μg·mL^-1 for copper and 2.26×10^-2 μg·mL^-1 for lead when the sample volume is 100 mL. The effect of matrix can be overcome by the method and the results are satisfying. The method proposed here is rapid and has good reproducibility.
		2007 Vol. 27 (03): 589-591 [Abstract] ( 1169 ) PDF (402 KB) ( 481 )

	592	Preconcentration of Trace Pd(Ⅱ) on Crosslinked Chitosan and Determination by Graphite Furnace Atomic Absorption Spectrometry
		QIAN Sha-hua, XIANG Luo-jing^*,DENG Hong-bing, XIAO Mei, LIN Han, LI Xue-qin
		A novel crosslinked chitosan(CCTS) not dissolved in acidic or alkaline solutions was synthesized by the crosslinking reaction of chitosan (CTS) with crosslinking agent (3-chloro-1,2-epoxypropane). The adsorption capability of Pd(Ⅱ) by CCTS was studied at different pH value. The results showed that the adsorption efficiency was above 98% after preconcentration for 20 minutes when pH values were 1-4. The effects of preconcentration time, dosage of CCTS, adsorption capacity of CCTS, sample volume, coexistent elements, and elution of Pd(Ⅱ) were investigated. The mechanism of adsorption of CCTS for Pd(Ⅱ) was discussed. A novel method for the preconcentration and separation of trace Pd(Ⅱ) with crosslinked chitosan(CCTS) and its determination in water by graphite furnace atomic absorption spectrometry has been developed. The detection limit(3σ, n=8) was 0.143 μg·L^-1,the relative standard deviation(RSD) was less than 5.47%, and this preconcentration method was used to detect Pd(Ⅱ) in lake water and sea water with recoveries of 92%-96%. It also can be used to recycle Pd(Ⅱ).
		2007 Vol. 27 (03): 592-594 [Abstract] ( 1164 ) PDF (537 KB) ( 464 )

	595	Spectrometric Determination of the Content of Nutritional Elements in Fruits of Different Red Pear Varieties
		ZHANG Chuan-lai¹,LIU Zun-chun¹,SU Cheng-jun²,JIN Xin-fu³
		A study was carried out on the contents of nutritional elements such as K, Fe, Zn, Ca, Cu, Mg and Mn in three different red pear varieties, namely Meirensu, Hongsucui and Mantianhongs, by flame atomic absorption. The results indicated that the linear relationships for different elements within the limits of working curves are good, and the range of recovery is 98%-104%, hence showing that the results asre satisfactory. There are abundant nutritional elements in fruits of the three different red pear varieties, meaning that they all have a relatively high nutritive value. In fruits of the three red pear varieties, the content sequence of different nutritional elements was found to be K>Fe>Zn>Ca>Cu>Mg>Mn. In fruits of the three different red pear varieties, the content sequence of K, Zn, Mg and Mn was Meirensu>Hongsucui>Mantianhong; the content sequence of Fe and Cu was Hongsucui>Mantianhong>Meirensu; and the content sequence of Ca was Mantianhong>Hongsucui>Meirensu; and the total content sequence of seven nutritional elements was Hongsucui>Meirensu>Mantianhong.
		2007 Vol. 27 (03): 595-597 [Abstract] ( 215 ) PDF (373 KB) ( 471 )

	598	Study on ZnTe(ZnTe∶Cu) Polycrystalline Films by XPS
		ZHONG Yong-qiang, ZHENG Jia-gui^*,FENG Liang-huan, CAI Wei, CAI Ya-ping, ZHANG Jing-quan, LI Bing, LEI Zhi, LI Wei, WU Li-li
		ZnTe and ZnTe∶Cu polycrystalline films were fabricated by means of co-evaporating at room temperature. The relationships between conductivity of the films and temperature were measured. Chemical compositions of ZnTe and ZnTe∶Cu polycrystalline films were obtained by using XPS, and the changes of chemical composition before and after anneal were analyzed. The results showed that the conductivity of ZnTe rose linearly with the temperature, and Te was enriched on the margin of every sample’s surface;With the rise in temperature, the conductivity of ZnTe∶Cu films became abnormal, the oxidization of Te became very obvious and Zn diffused from the bulk to the surface. The composition became more uniform and all peaks became stronger. Carrier concentration caused by Cu_xTe appeared, resulting in the abnormal relationship between conductivity of the films and temperature.
		2007 Vol. 27 (03): 598-601 [Abstract] ( 1203 ) PDF (1244 KB) ( 483 )

	602	Studies of Spectra Classification Based on Kernel Covering Algorithm
		YANG Jin-fu¹,XU Xin¹,WU Fu-chao¹,ZHAO Yong-heng²
		A kernel based covering algorithm, called the kernel covering algorithm (KCA), is proposed for the classification of celestial spectra. This algorithm is a combination of kernel trick with the covering algorithm, and is used to extract the support vectors in feature space. The experiments show that the classification result based on KCA is a little less than that based on SVM. However, KCA only involves the distance computation without the need to solve the quadratic programming problem. Also, KCA is insensitive to the width of gauss window. Although KCA has a comparable classification performance with the covering algorithm, it changes the distance between samples in feature space by the nonlinear mapping such that the distribution of samples is more adaptable to classify. Therefore, the number of KCA’s resulting support vectors is significantly smaller than that of the covering algorithm.
		2007 Vol. 27 (03): 602-605 [Abstract] ( 1115 ) PDF (901 KB) ( 456 )

	606	A Study on the Outlier Mining System for LAMOST Spectra
		ZHANG Ji-fu^{1, 2},CAI Jiang-hui¹
		To find unknown celestial bodies is one of main goals in mankind’s universe exploration, and outlier mining is a kind of effective way of finding unknown celestial bodies from mass spectrum data. In the present work, using VC++ and Oracle9i as development tools, an outlier mining system for star spectra is designed and realized, and its software architecture and function modules are outlined. At the same time, the system’s key components such as star spectrum data preprocessing based on median filters, clustering of star spectrum data based on distance, outlier mining of star spectrum data based on distance support and three-dimensional visualization of star spectrum outlier based on PCA, are elaborated. The preliminary experimental results based on SDSS star spectrum data show that the system is workable for outlier mining of celestial body spectrum data, and a new kind of effective way of finding unknown and peculiar celestial body spectrum data.
		2007 Vol. 27 (03): 606-609 [Abstract] ( 1221 ) PDF (1557 KB) ( 488 )

	610	The Novel Combined X-Ray Image Intensifier
		YU Chun-yu^1，2,CHANG Ben-kang¹,FU Rong-guo¹
		By combining X-ray imaging technology and low light level imaging technology, the authors′ research group designed the novel combined X-ray image intensifier. Different from the imported conventional one, it is an X-ray screen lens coupled with a brightness intensifier, and is a non-vacuum device. In this paper, the novel combined X-ray image intensifier is described in terms of its structure, imaging principle and imaging performance, and the comparisons of the structure, imaging principle and imaging performance between the novel combined one and the conventional one are given in detail. It is clear that the conventional medical tube is a little better than the novel combined one in imaging performance, whereas the novel combined one has a very high cost effectiveness and the satisfied imaging performance, and moreover, the quality disparity between the novel combined one and the imported medical one is being shortened. The novel combined one meets the X-ray imaging standard in many science and research fields and is convenient to be accepted by the usual users and has wide application fields such as industrial detection, nondestructive test and airport security check.
		2007 Vol. 27 (03): 610-613 [Abstract] ( 464 ) PDF (1337 KB) ( 462 )

	614	IR Thermal-Emitter Based Photoacoustic Spectrometer for Gas Detection
		ZHANG Wang, YU Qing-xu^*
		An IR thermal-emitter based photoacoustic spectrometer for gas detection was developed. The function and structure of the hardware and the software for the spectrometer were presented. Based on the analysis of spectral characteristics of the IR source, the integrated absorption coefficients of absorption gases at different absorption bands were compared, thus the optimum parameters of the photoacoustic cell and the IR filters were determined. The experimental results showed that the detection limits of 1.6×10^-6,4.5×10^-6 and 4.0×10^-4 for CO, NO and H₂S gases could be obtained respectively. The repeatability and linearity were also tested for CO gas in the concentration range of 0-987×10^-6,and the results are fairly satisfactory. In addition, many other kinds of gases can be measured with the same spectrometer, simply by adding some corresponding IR filters.
		2007 Vol. 27 (03): 614-618 [Abstract] ( 434 ) PDF (1722 KB) ( 461 )

	619	Development of a Micro-Infrared Spectrometer Based on Pulse Infrared Light Source and Two-Double Light Route
		DU Xiao-qing, WEN Zhi-yu, XIANG Xian-yi, LONG Zai-chuan, LIU Hai-tao, CHEN Qin
		A novel micro infrared spectrometer was designed which is different from traditional grating scanning one. This micro spectrometer introduced an uncooled infrared detector LiTaO₃ with high sensitivity and small volume, and a MEMS pulsed infrared light source was adopted as emitter and chopper, which threw off traditional mechanical chopper. Combined with the design of a two-double light route, the volume of micro spectrometer was made even smaller. Primary results show that the design method of micro-infrared spectrometer is feasible, the wavelength range of instrument is wide, from 2 000 to 5 000 nm, and spectrum bandwidth is about 45 nm, which can be used for the sample analysis, such as plastic films, biologic liquid, environmental gas and so on.
		2007 Vol. 27 (03): 619-622 [Abstract] ( 1249 ) PDF (1082 KB) ( 520 )

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