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. 05 Published: 2007-05-26

光谱学与光谱分析

	833	Discharge Ion Mobility Spectrometry of Ketonic Organic Compounds
		HUANG Guo-dong^1,2,HAN Hai-yan¹,JIA Xian-de¹,JIN Shun-ping¹,LI Jian-quan¹,WANG Hong-mei¹, TANG Xiao-shuan¹,JIANG Hai-he¹,CHU Yan-nan^1*,ZHOU Shi-kang¹
		Ion mobility spectrometry (IMS) is a sensitive technique for fast on-line monitoring trace volatile organic compounds based upon the mobilities of gas phase ions at ambient pressure in weak electrc field. In the present work, protonated water reactant ions were successfully prepared, and eight ketones were studied on a homemade high-resolution IMS apparatus using a discharge ionization source. The reduced mobility values of all ions were derived from the observed ion mobility spectra. The experimentally determined reduced mobilities for acetone, 2-butone, 1-methyl-2-pyrrolidinone acetophenone, cyclohexanone and product ions were compared with the previously reported values in the Ni-IMS, indicating that they are in good agreement. The reduced mobilities of methyl isopropyl ketone, 4-methyl-2-pentanone and cyclopentanone ions were given for the first time. The ionization process for organic compounds in the authors’ discharge ion mobility spectrometer is suggested to be similar to Ni-IMS system, i.e.the proton transfer reactions produce protonated ketone ions. In addition, a linear correlation was found between the reduced mobilities of the ketone ions and their molecular masses. Qualitative measurements show that the limit of detection is in the ng·L^-1 order of magnitude in the authors’ discharge ion mobility spectrometer.
		2007 Vol. 27 (05): 833-836 [Abstract] ( 1233 ) PDF (1532 KB) ( 550 )

	837	Multispectral Color Sensor Based on Vertically Stacked Structure
		CHEN Yuan,XU Zhi-hai^*,FENG Hua-jun
		A novel multispectral color sensor based on vertically stacked structure is introduced. The advantages of this sensor include anti color aliasing, high spatial resolution, elimination of color interpolation and low-pass filter. Its basic principle lies on the silicon material’s different of penetration depth of electromagnetic wave with different wavelength, i.e. blue light with short wavelength is mainly absorbed on the surface, while red light with longer wavelength is mainly absorbed at deeper location. The current research and development are related to two pixel structures: the buried pn junctions structure made by standard silicon process, and stacked amorphous silicon and its alloys thin films made by PECVD. The former one adopts standard silicon technology while the latter one adopts amorphous silicon, which has better optical performance, thus greater flexibility in design. The authors focused on the theoretical and experimental analyses of the spectrum mechanisms and output performances with different pixel structures, and discussed the way for further research.
		2007 Vol. 27 (05): 837-841 [Abstract] ( 1089 ) PDF (1637 KB) ( 489 )

	842	2D Correlation Spectral Study of a Coordination Polymer [Eu(PCPOA)₃(H₂O)]_n
		SUN Rui-qing,ZHANG Han-hui^*,CAO Yan-ning,CHEN Yi-ping,YANG Qi-yu,WANG Zhi-yang
		A novel two dimensional coordination polymer [Eu(PCPOA)₃(H₂O)]_n was synthesized under hydrothermal condition. Based on the determination of the structure, the 2D correlation FTIR spectra with the perturbation of magnetism and the 2D correlation fluorescence spectra with the perturbation of temperature were investigated. The energy bonds were calculated using CASTEP Program of Material studio. The Europium ions are nine-coordinated and the ligands adopted two different modes to connect the Eu³⁺ ions to 2D layer structure. The study of the 2D-FTIR reveals that the carboxylates coordinate with the center ions not only as monodentate, but also as bidentate chelate. The 2D fluorescence spectra indicates that the transition of ⁵D₀→⁷F₂ is influenced intensively by the perturbation of temperature.
		2007 Vol. 27 (05): 842-845 [Abstract] ( 2137 ) PDF (1569 KB) ( 533 )

	846	Optical Multi-Channel Detection and Analysis on Solar Ultra-Violet Irradiance Spectrum
		ZHAO Xiao-yan,HE Jie^*,ZUO Hao-yi,LIANG Hui-min,YANG Jing-guo
		The present paper reports a new type of ultraviolet CCD optical multi-channel analyzer and its application to detecting solar ultraviolet irradiance spectrum. Spectral detecting range of 200-1 100 nm, spectral resolution of 0.1 nm and detecting sensitivity of 0.02 lx were reached in this instrument. The solar spectra of UVB and UVA were measured in real time in Chengdu area. The measurement results have good correlation with the detection using normal solar ultraviolet irradiance detector. Primary analysis on the detection results of solar spectra in UVB and UVA indicated that in the morning and in the afternoon the irradiance of solar ultraviolet is smaller than that at noon, and reverse correlation holds for the change of SZA (Solar Zenith Angle). In different wavelength interval of UVA and UVB, generally, the radiation flux of long wavelength is greater than that of short. Clouds and aerosols in the atmosphere have important influence on ultraviolet irradiance.
		2007 Vol. 27 (05): 846-849 [Abstract] ( 2122 ) PDF (1418 KB) ( 655 )

	850	The Luminescence Characteristics of Rare Earth Complex Tb_0.5Eu_0.5(TTA)₃Dipy
		WANG Yong¹,ZHAO Su-ling^1*,Lü Yu-guang^{2, 3},ZHANG Fu-jun¹,YUAN Guang-cai¹,CAO Wei-liang², ZHANG Jing-chang²,WANG Yong-sheng¹,XU Zheng¹
		The new complex Tb_0.5Eu_0.5(TTA)₃Dipy was synthesized. By doping polymer PVK with Tb_0.5Eu_0.5(TTA)₃Dipy, the EL device was fabricated with the structure of ITO/PVK∶Tb_0.5Eu_0.5(TTA)₃Dipy/PBD/Al using PVK∶Tb_0.5Eu_0.5(TTA)₃Dipy as the emitting layer. Compared with the blend PVK∶Eu(TTA)₃,the Tb³⁺ acts as an energy transfer bridge , which enhances the energy transfer efficiency between PVK and Tb_0.5Eu0.5(TTA)₃Dipy. As a result, the emission of Eu³⁺ is enhanced with the quenching of the emission of PVK. The process of energy transfer was studied.
		2007 Vol. 27 (05): 850-853 [Abstract] ( 1696 ) PDF (953 KB) ( 515 )

	854	Synthesis and Spectral Properties of Eu³⁺-Doped MCeO₃(M=Sr, Ba)
		FU Shi-liu,YIN Tao,DING Qiu-ke,ZHAO Wei-ren
		Eu³⁺-doped MCeO₃(M=Sr, Ba) powder samples were prepared by a solid-state method, and their characteristics were investigated by the use of XRD and fluorescence spectra. The XRD results show that Eu³⁺ ions have a preference for M²⁺ over Ce⁴⁺ sites in MCeO₃(M=Sr, Ba) lattice. The excitation spectra of SrCeO₃∶Eu³⁺ and BaCeO₃∶Eu³⁺ display a much broad absorption band peaking at about 311 nm and 320 nm, respectively. This broad band is attributed to the charge transfer from O^2- to Ce4+ and the energy transfer from SrCeO₃ and BaCeO₃ to Eu³⁺. In the MCeO₃∶Eu³⁺ samples, the emission transitions of Eu³⁺ originating from ⁵D₁ and ⁵D₀ excited states can be observed, among which the ⁵D₀—⁷F₁ magnetic-dipole transition is the most intense emission. The emission of Eu³⁺ from the Eu³⁺ doped SrCeO₃ lattice is much stronger than that of Eu³⁺ from the Eu³⁺ doped BaCeO₃ lattice.
		2007 Vol. 27 (05): 854-857 [Abstract] ( 1586 ) PDF (1089 KB) ( 478 )

	858	Research on Hydrocarbon-Generation Mechanism of Upper Permian Coals from Leping, Jiangxi, Based on Infrared Spectroscopy
		YU Hai-yang,SUN Xu-guang
		Fourier transform infrared microspectroscopy (Micro-FTIR) technique was used to investigate the chemical compositions and structures of kerogen from the Late Permian bark coal in the B₃ coal seam in mingshan mine, Leping, Jiangxi, at different temperatures. With the observation and the statistics of organic macerals under microscope, the author analysed the model of hydrocarbon generation of the bark coal in the B₃ coal seam in mingshan mine, Leping, Jiangxi. And the author also estimated the oil and gas resources in Leping. The results indicate that the chemical composition of the coal is composed by aliphatic structure, heteroatomic compounds and aromatic structure, and their activation energy reduces in turn. Along with the rise in temperature, the intensity of aliphatic structure and heteroatomic compounds decreases obviously, however the aromatic structure changes little. The deamocollinite of B type and barkinite in the bark coal all can generate oil and gas easy, so the bark coal in Leping has a great petroleum-generating potential.
		2007 Vol. 27 (05): 858-862 [Abstract] ( 2662 ) PDF (926 KB) ( 534 )

	863	Spectroscopic Studies of Aripiprazole
		LI Jian-feng¹,LIU Ai-xiang¹,XIA Guang-xin¹,NIAN Yi-feng²,SHEN Jing-shan^1*
		The ultraviolet spectrum (UV), infrared spectrum (IR), nuclear magnetic resonance (NMR) and mass spectrum (MS) of aripiprazole, a new antipsychotic drug, were reported and interpreted. The structure of aripiprazole in solution was studied according to the UV spectra detected in solution with different pH values. The vibrations of functional groups of this compound in IR and the isotopic ion peaks in MS were discussed. Moreover, the 2D-NMR techniques, including 1H-¹H correlation spectroscopy (¹H-¹H cosy), heteronuclear single-quantum coherence (HSQC), and heteronuclear multiple-bond correlation (HMBC), were used to deduce the structure of this compound. All the ¹H NMR and ¹³C NMR signals were assigned. Especially, the ten different methylenes in this structure were analyzed according to the chemical shifts, coupling constants and correlations in 2D-NMR spectrum. By all these spectral techniques, the structure of aripiprazole was identified.
		2007 Vol. 27 (05): 863-867 [Abstract] ( 2595 ) PDF (1333 KB) ( 732 )

	868	Canceration and Thermal Coagulation of Human Liver Induced Changes in the Absorption and Scattering Properties of Liver-Tissue at Near Infrared in vitro
		WEI Hua-jiang¹,XING Da^1*,HE Bo-hua²,GU Huai-min¹,WU Guo-yong³,CHEN Xue-mei⁴,LU Jian-jun³
		Canceration and thermal coagulation of human liver induced changes in the absorption and scattering properties of liver tissue at 710, 730, 750, 77, 790, 810, 830, 850, 870 and 890 nm of Ti: sapphire laser were studied in vitro. The measurements were performed using a double-integrating-sphere setup, and the absorption and scattering properties were assessed from these measurements using the inverse adding-doubling method. The results of measurement showed that canceration of liver induced significant decrease in the absorption coefficients of liver tissue, and the maximum change in the absorption coefficients is 86.12% at 850 nm, while the minimum change in the absorption coefficients is 82.65% at 750 nm. Thermal coagulation of normal liver induced obvious change in the absorption coefficients from 710 to 890 nm, and the maximum change in the absorption coefficients is 79.55% at 710 nm, while the minimum change in the absorption coefficients 0.72% at 790 nm. Thermal coagulation of carcinoma liver tissue induced significant increase in the absorption coefficients, the maximum change in the absorption coefficients of carcinoma liver tissue is 78.69% at 810 nm, in the minimum change in the absorption coefficients of carcinoma liver tissue 38.16% at 710 nm. Canceration of liver induced significant increase in the scattering coefficients of liver tissue, and the maximum change in the scattering coefficients is 158.37% at 710 nm, while the minimum change in the scattering coefficients is 136.03% at 890 nm. Thermal coagulation of normal liver induced significant increase in the scattering coefficients of liver tissue, and the maximum change in the scattering coefficients is 632.92% at 890 nm, while the minimum change for the scattering coefficients is 587.40% at 710 nm. Thermal coagulation of carcinoma liver tissue induced significant increase in the scattering coefficients, and the maximum change in the scattering coefficients of carcinoma liver tissue is 384.25% at 810 nm, while the minimum change in the scattering coefficients of carcinoma liver tissue is 330.86% at 710 nm. The change in the absorption and scattering properties also varies with the change of laser wavelength.
		2007 Vol. 27 (05): 868-872 [Abstract] ( 1722 ) PDF (906 KB) ( 597 )

	873	Application of DS Algorithm to the Calibration Transfer in Near-Infrared Spectroscopy
		LI Qing-bo¹,ZHANG Guang-jun^1*,XU Ke-xin²,WANG Yan²
		Calibration transfer in multivariate calibration is one of the most important and key issues in near-infrared spectral analysis technology. The model was transferred by means of finding the transformation relation between two instruments of the same type, so that the model established on one instrument could be used on the other to predict the spectral response. In this paper, direct standardization (DS) algorithm was investigated for resolving calibration transfer in multivariate calibration of chemometrics. In addition, the selection method for the transfer set samples was studied in this paper. The experiment of model transfer was carried out between two AOTF near-infrared spectrometers. Firstly, the Kennard/Stone algorithm was adopted to select the transfer set samples, and then DS algorithm was applied to the calibration transfer. The experimental results showed that DS algorithm was effective for model transfer. DS algorithm is applicable to not only instrument standardization, but also the correction of the spectral differences induced by baseline drift for a long time or the replacement of measurement modules for the same instrument.
		2007 Vol. 27 (05): 873-876 [Abstract] ( 1178 ) PDF (1200 KB) ( 579 )

	877	Research on the Correlation Chart of Near Infrared Spectra by Using Multiple Scatter Correction Technique
		LU Yong-jun,QU Yan-ling,SONG Min
		Correlation spectroscopy can be used to describe the linear correlationship between the absorbance and concentration data in the whole spectra range and clearly figure out the characteristic peak position of the sample under test. Meantime, this chart plays an extremely important role in offering the precise information for choosing the optimal wavelength set during the calibration process. Multiple scatter correct (MSC) spectroscopy is a kind of multiple variable scatter correction technique, and can effectively remove the base shift and tilt phenomenon caused by MSC. As a result, the ratio of signal to noise is improved greatly. Based on this feature, the new idea of the MSC technique was introduced into the preceding data treatment for the creation of correlation chart, and through careful experiment this idea was proved to be correct and effective.
		2007 Vol. 27 (05): 877-880 [Abstract] ( 219 ) PDF (1289 KB) ( 804 )

	881	Spectral Analysis and Synthesis of Artificial Antigen of the Organophosphors Pesticide Methamidophos
		WANG Xiang-hong^1,2,DUAN Zhen-juan¹,SONG Shi-ying¹,WANG Shuo^1*
		In the present paper, a hapten of methamidophos was synthesized and conjugated with KLH by active ester method, thus the first artificial antigen was obtained. By diazotization method methamidophos conjugated with BSA, and the second artificial antigen was obtained. The synthesized haptens were characterized by MS, IR and ¹H NMR, and the two artificial antigens were determined by the method of IR spectrum. The result implied that both the artificial antigens have absorbance peaks of hapten and protein, indicating that they were prepared successfully. This could provide evidence that the method of IR spectrum can be used to determine whether the artificial antigens are synthesized successfully.
		2007 Vol. 27 (05): 881-885 [Abstract] ( 442 ) PDF (1312 KB) ( 935 )

	886	In situ Diffuse Reflectance FTIR Spectroscopy Characterization of Titanium Silicalite-1 Catalytic Oxidization of Styrene
		ZHANG Ping¹,WANG Le-fu²,CHEN Yong-heng¹
		The Stability of framework of titanium silicalite-1 (TS-1) was investigated by high temperature diffuse reflectance FTIR spectroscopy (DRIFTS), and the results showed that the 960 cm^-1 peak belonging to Ti-framework was stabilized at 673 K, but the two peaks belonging to framework shifted to lower frequencies by about 13 cm^-1 at 673 K. The effect on the framework after H₂O2 adsorption was discussed. The results showed that the 960 cm^-1 peak lowered and shifted to high frequencies by about 11 cm^-1,but it recovered with vacuum or heating up. It was suggested that the 960 cm^-1 peak characterizes TiO, and this explained why the 960 cm^-1 peak shifted to high frequencies well. TS-1 catalytic oxidization of styrene was investigated by in situ DRIFTS. The reaction process was detected and phenyl aldehyde was the main product. Based on in situ analysis, it was proposed that H₂O₂ was adsorbed on Ti in framework of TS-1 to form active center.
		2007 Vol. 27 (05): 886-888 [Abstract] ( 241 ) PDF (1447 KB) ( 598 )

	889	Monitoring and Analysis of CO₂ and CH₄ Using Long Path FTIR Spectroscopy Over Beijing
		XU Liang,LIU Jian-guo,GAO Min-guang,LU Yi-huai,LIU Wen-qing,WEI Xiu-li,ZHU Jun, ZHANG Tian-shu,CHEN Jun
		Recently, the greenhouse effect is well known and is of great worldwide concern. CO₂ and CH₄ are two of the main human activity-induced greenhouse gases in the atmosphere. It is important for environmental scientists to monitor their long-term variation. A Fourier transform infrared spectrometer was used to monitor the concentrations of CO₂ and CH₄ at a specific site in Beijing. The pollution air was passed through a long open path and the absorption spectra were collected over a period of a month. Quantitative analysis was performed by means of the nonlinear least square method using synthetically generated spectra, which was than convolved with instrumental line shape function. Ambient levels of CO₂ and CH₄ are reported with a time resolution of five minutes for 4-10, September 2005, and some analysis is present.
		2007 Vol. 27 (05): 889-891 [Abstract] ( 2406 ) PDF (998 KB) ( 646 )

	892	Synthesis and Characterization of Citric Acid Mono-Polyethyleneoxide Nonyl Phenyl Ether Amber Diehylene Glycoldinitrate Diglycollic Amide
		WANG Wen-bo¹,SHEN Shu-chang¹,ZHANG Li-yuan²,AN Hong¹
		In the present paper, citric anhydride was made using citric acid. The citric acid mono-polyethyleneoxide nonyl phenyl ether was synthesized by using citric anhydride and polyethyleneoxide nonyl phenyl ether. Finally, the citric acid mono-polyethyleneoxide nonyl phenyl ether amber diehylene glycol dinitrate diglycollic amide was synthesized by using diethanolamine. The raw material, intermediate and product were characterized by IR. The two absorption peaks at 1 866.90 cm^-1 and 1 781.08 cm^-1 respectively are both strong, with the latter stronger than the former. It was indicated that citric acid had changed into citric anhydride. The absorption peak at 1 736.14 cm^-1 is attributable to the stretching vibration of CO in ester, and that at 1 642.39 cm^-1 is attributable to the stretching vibration of CO in acidamide. It was indicated that the product was citric acid mono-polyethyleneoxide nonyl phenyl ether amber diehylene glycol dinitrate diglycollic amide. So, the synthesis process conditions were right according to the IR data.
		2007 Vol. 27 (05): 892-894 [Abstract] ( 2067 ) PDF (1250 KB) ( 539 )

	895	Quality Assessment of Tobacco Flavor by Classification of Principal Component Analysis-Mahalanobis Distance Combined with FTIR-ATR Fingerprint
		WANG Jia-jun¹,QIU Qi-yang¹,LIU Wei²
		In normal condition, 150 Fourier transform infrared-attenuated total reflection spectra of three kinds of tobacco flavor were measured. Mean centering and Karl Norris second derivative filter were employed for treating the spectra data. Whereafter，class models of tobacco flavor were established with classification of principal component analysis-Mahalanobis distance. Class models have been applied to multivariate statistical process control(MSPC)for the quality assessment of tobacco flavor in site. The upper control limit(UCL) was based on this kind of average Mahalanobis distance within +3σ. The results of monitoring are correct.
		2007 Vol. 27 (05): 895-898 [Abstract] ( 622 ) PDF (1281 KB) ( 682 )

	899	Research on Early Fire Detection with CO-CO₂ FTIR-Spectroscopy
		DU Jian-hua, ZHANG Ren-cheng, HUANG Xiang-ying, GONG Xue, ZHANG Xiao-hua
		A new fire detection method is put forward based on the theory of FTIR spectroscopy through analyzing all kinds of detection methods, in which CO and CO₂ are chosen as early fire detection objects, and an early fire experiment system has been set up. The concentration characters of CO and CO₂ were obtained through early fire experiments including real alarm sources and nuisance alarm sources. In real alarm sources there are abundant CO and CO₂ which change regularly. In nuisance alarm sources there is almost no CO. So it’s feasible to reduce the false alarms and increase the sensitivity of early fire detectors through analyzing the concentration characters of CO and CO₂.
		2007 Vol. 27 (05): 899-903 [Abstract] ( 617 ) PDF (1652 KB) ( 572 )

	904	Second Derivative FTIR Spectroscopic Study of Bacillus Cereus
		WANG Jia-rong¹,MA Mei-hu^1*,ZHOU Chuan-yun¹,NIE Ming²
		Some particular cell components of intact Bacillus cereus could be detected and identified by Fourier transform infrared spectroscopy (FTIR). FTIR were collected directly, then the FTIR spectra of the samples were converted into second derivative spectra. Typical marker bands were used to identify these bacterial cell components such as capsules, endospores or storage materials. Capsules were detected in cell by a strong amide band near 1 654 cm^-1 typical for α-helical structures and by strong carboxylate stretching vibrations(≈1 601 cm^-1 and ≈1 403 cm^-1,respectively). The formation of endospores was discovered using marker bands for dipicolinic acid (located at ≈1 617 cm^-1,≈1 372 cm^-1 and ≈1 569 cm^-1). Spectra of this strain showed expression of poly-β-hydroxybutyric acid granules, capsules and endospores simultaneously. These bacterial cell components can be identified by second derivative FTIR spectroscopy which can distinguish the overlap spectrum. And that offered some referenced information for molecular biology and cellular biology.
		2007 Vol. 27 (05): 904-906 [Abstract] ( 1698 ) PDF (1009 KB) ( 626 )

	907	Nondestructive Sugar Content Determination of Peaches by Using Near Infrared Spectroscopy Technique
		MA Guang^1,2,FU Xia-ping¹,ZHOU Ying¹,YING Yi-bin^1*, XU Hui-rong¹,XIE Li-juan¹,LIN Tao¹
		Near infrared (NIR) spectroscopy has been widely studied and used for rapid and nondestructive measurement of internal qualities of fruits such as sugar content, acidity, firmness, etc. The objective of the present research was to study the potential of NIR diffuse reflectance spectroscopy as a nondestructive method for the determination of sugar content of Jinhua peaches. NIR spectral data were acquired in the spectral region between 800 nm and 2 500 nm using a FT-NIR spectrometer with a bifurcated optic fiber and an InGaAs detector. Statistical models were developed using partial least square regression (PLSR) method by TQ Analyst software. The results of PLSR models for peach flesh of different parts and juice indicated that the model based on average spectra of nine measurements in three different parts of each fruit and the corresponding sugar content obtained better results than those models based on the flesh of one part of each fruit (three measurements) or juice. Spectral data preprocessing of derivative and scattering correction was also discussed. The results showed that the models based on original spectra were better than those based on derivative spectra; and spectra scattering correction could improve the performance of PLSR models. Finally, two models were established based on spectra after multiplicative scattering correction (MSC) and standard normal variate (SNV) preprocessing. The correlation coefficients of calibration and leave-one-out cross-validation of the two models were the same, Rcal=0.997 and Rcross-v=0.939. These results show that it is feasible to use NIR spectroscopy technique for quantitative analysis of peach sugar content.
		2007 Vol. 27 (05): 907-910 [Abstract] ( 2458 ) PDF (1206 KB) ( 605 )

	911	Application of Some Different Modeling Algorithms to Pear MT-Firmness Detection Using NIR Spectra
		FU Xia-ping,YING Yi-bin^*,LU Hui-shan,YU Hai-yan,XU Hui-rong
		Near infrared (NIR) spectroscopy is an instrumental method, which was widely studied and used for rapid and nondestructive detection of internal qualities of agricultural products. Statistical modeling is a very important and difficult process in NIR detection to establish the relationship between nondestructive NIR spectral data and interested quality index of the products. Classical multivariate calibration methods such as partial least square regression (PLSR), principle component regression (PCR), stepwise multilinear regression (SMLR) were often used for modeling. In the present study, besides these algorithms, another mixed algorithm was adopted for establishing a nonlinear model of NIR spectra and Magness Taylor(MT) firmness of “Xueqing” pears. The mixed algorithm was combined with SMLR and artificial neural network (ANN). NIR diffuse reflectance spectra of intact pears were measured in the spectral range of 800-2 630 nm using InGaAs detector. However, only spectral information between 800 and 2 500 nm was used for modeling because of the low signal to noise ratio beyond 2 500 nm. Comparing the classical multivariate calibration methods of PLSR, PCR and SMLR, the modeling results using PLSR method were much better than the other two methods. Moreover, models based on original spectra turned out better results than models based on derivative spectra for all the three methods. The best results were r=0.87, RMSEC=3.88 N of calibration and r=0.84, and RMSEP=4.26 N of validation by using PLSR method based on original spectra. The mixed algorithm also performed better than SMLR and PCR, but was a bit worse than PLSR: r=0.85, RMSEC=4.15 N of calibration and r=0.82, and RMSEP=4.67 N of validation. The results indicated that fruit NIR spectra could be used for MT-firmness prediction when a proper algorithm was chosen, however, further study on statistic modeling is still necessary to improve the predicting performance.
		2007 Vol. 27 (05): 911-915 [Abstract] ( 260 ) PDF (1482 KB) ( 668 )

	916	Fast Discrimination of Varieties of Infant Milk Powder Using Near Infrared Spectra
		HUANG Min¹,HE Yong¹,CEN Hai-yan¹,HU Xing-yue^2*
		A new method for discrimination of varieties of infant milk powder by means of visible/near infrared spectroscopy (Vis/NIRS) (325-1 075 nm) was developed. Partial least square (PLS) was used to analyze the characteristics of the pattern. PLS compressed thousands of spectral data into a small quantity of principal components and described the body of spectra. The first seven principal components were confirmed as the best number of principal components. Then, these seven principal components were applied as the input to a back propagation neural network with one hidden layer. The infant milk powder varieties data were applied as the output of BP neural network. One hundred eighty samples containing nine typical varieties of infant milk powder were selected randomly, and they were used as a training set of the BP neural network model, and the remainder samples (total 90 samples) formed the prediction set. With a proper network training parameter, the recognition accuracy of 100% was achieved. This model is reliable and practicable. So the present paper could offer a new approach to the fast discrimination of varieties of infant milk powder.
		2007 Vol. 27 (05): 916-919 [Abstract] ( 588 ) PDF (966 KB) ( 653 )

	920	Qualitative Analysis of Chinese Rice Wine with Different Marked Age by Near Infrared Transmission Spectroscopy
		YU Hai-yan,YING Yi-bin^*,FU Xia-ping,LU Hui-shan,XU Hui-rong
		The feasibility of using near infrared transmission spectroscopy for classification of Chinese rice wine with different marked age was presented in the present research. The prediction performance of different preprocessing methods of the spectra (raw spectra, smoothed spectra and derivative spectra) together with discriminant analysis (DA) was also investigated. A total of 86 Shaoxing rice wines were tested in the wavelength of range 800-2 500 nm using Fourier transform near infrared spectroscopy. The results of the research indicated that the performance of second derivative spectra was the worst, and the results from raw spectra were the best, with the percentage of samples correctly classified 98.1% and 90.6% for the calibration and validation set, respectively, and the smoothed spectra had no influence on the classification results. The results indicated that near infrared transmission spectroscopy in conjunction with DA was a powerful tool for discriminating Chinese rice wines with different marked ages.
		2007 Vol. 27 (05): 920-923 [Abstract] ( 397 ) PDF (1191 KB) ( 656 )

	924	Chemical Constituents Analysis of Mgrtol Standardized by GC-FTIR
		LOU Qi-zheng
		The chemical constituents of the Mgrtol standardized were analyzed by capillary gas chromatography-Fourier transform infrared spectroscopy (GC-FTIR). The relative content of each component was determined by area nomalization method. Twelve peaks were separated and were all identified by FTIR through search method. The results showed that the Mgrtol standardized mainly consists of 3 kinds of single terpenes, including 1,8-cineole, D-limonen and α-pinene, which account for 14.70%，36.83% and 46.35% respectively, totaling to 97.88% of the entire compositions of the Mgrtol standardized. The results are the same as those analyzed by GC-MS. Comparing with GC-MS, the isomers of organic compounds separated by gas chromatography could be determined by GC-FTIR. So this method has wider application value. The results also provided a scientific proof for the further development of the plant.
		2007 Vol. 27 (05): 924-927 [Abstract] ( 1310 ) PDF (933 KB) ( 659 )

	928	Study on Extracting Raman Spectra of Single Component and Structure from Impure Amorphous Spectra
		GAO Min¹,LIU Wei¹,YANG Jun-tao²,ZHANG Shu-lin^1*,GUO Hui³,ZHANG Guo-yi¹
		X-ray diffraction and Raman spectra show that the used amorphous SiC and GaN samples are impure. Adopting the new subtracting method with weighted impurity spectra, we obtained amorphous SiC and GaN Raman spectra involving only single component and structure. The good fitting between the calculated phonon density of states (PDOS) and the reduced Raman spectra confirms that the purified Raman spectra is really the amorphous Raman spectra, and the adopted spectral subtracting method with weighted impurity spectra is successful.
		2007 Vol. 27 (05): 928-931 [Abstract] ( 1160 ) PDF (1219 KB) ( 549 )

	932	Spectral Analysis of DNA Solution Treated with Acid at Various pH for Different Time
		HENG Hang,KE Wei-zhong^*,JI Kang
		The Raman spectra of DNA in acidic solution at pH 3.0，pH 2.0 and pH 1.0 after 1，2，12 and 24 h treatment were measured. The results showed that the protonation of DNA occurred and the Raman characteristic shift and intensity changed to different extent at various pH and after different time. At pH 3.0 there were weak bands of A-DNA and strong bands of B-DNA just after one hour acid treatment. The band of C-DNA appeared at the same time and showed a gradual enhancement. At pH 2.0 the band of A-DNA disappeared. With increasing time, the band intensity of B-DNA became weaker and the C-DNA stronger. Approching to pH 1.0, the bands B-DNA and C-DNA almost disappeared，the new bands at 891，1 265 and 1 418 cm^-1 appeared at the same time and the intensity of 891 and 1 265 cm^-1 increased, but the intensity of 1 418 cm^-1 became weaker. This fact indicated the formation of Z-DNA. The protonation of DNA proceeded gradually deeper from pH 3.0 to pH 1.0. Up to pH 1.0, the conformation of original double helix was modified and changed.
		2007 Vol. 27 (05): 932-935 [Abstract] ( 1550 ) PDF (895 KB) ( 440 )

	936	Structure and Raman Spectra of Titanium Oxides
		XIAO Ping,ZHENG Shao-bo^*,YOU Jing-lin,JIANG Guo-chang,CHEN Hui, ZENG Hao
		Under the first-principle density functional theory，structures of several titanium oxides (TiO, Ti₂O₃,Ti₃O₅,anatase and rutile) were optimized, and the obtained the structure parameter that coincides with the X-ray crystal diffraction result. The optimized structure parameters coincide well with those obtained by X-ray diffraction method. Molecular vibrational modes were also studied and assigned. Double Numeric including D-polarization function basis set was used with local density approximation, and the local exchange-correlation energy was described with Vosko-Wilk-Nusair and spin non-restricted function. The calculated vibrational wavenumbers were used to interpret observed experimental Raman spectra of those titanium oxides. By comparing the Raman spectra of those titanium oxides with the calculated results, the characteristic peaks of various titanium oxides could be assigned. So the types of titanium oxides could be diagnosed and recognized. This will help to investigate the correlation between the structure and property of materials.
		2007 Vol. 27 (05): 936-939 [Abstract] ( 1696 ) PDF (1136 KB) ( 774 )

	940	Analysis of PolyA, PolyU and Double-Stranded Complex PolyA·PolyU via Raman Spectroscopy
		LIAO Yu-bo¹,MENG Yao-yong^1*,LEI Hao-dong¹,WANG Ying²
		The Raman spectra of PolyA, PolyU and their double-stranded complex were measured, and the spectral changes upon the formation of double-stranded complex were studied. The experimental results show：(1) Under the experimental conditions used in the present work (0.14 mol·L-1 NaCl, 1 mmol·L^-1 Tris solution, neutral pH and 15 ℃), PolyU, PolyA and PolyA·PolyU occur as random-coiled, A-single-stranded helical and A-double-stranded helical conformations, respectively. One of the main spectral differences between the latter two conformations and the former one is the Raman band near 814 cm^-1 of ordered structures. Another difference is in the full width at half the maximum (i.e. FWHM) of the band near 1 100 cm^-1. The FWHM of the band 1 100 cm^-1 of PolyA is the same as that of PolyA·PolyU, while the band of PolyU shows remarkable broadening. In addition, we found that the conformation of PolyA is somewhat not so ordered as that of its duplex, which can be concluded from the value of I₈₁₄/I_{1 100} of the two polynucleotides. (2) The formation of duplex makes base-base stacking interactions much stronger, and the conformation of the backbone more ordered, which leads to obvious Raman hypochromic effect with some corresponding band shift. In this process, PolyU underwent more significant spectral changes than PolyA. As spectral markers, these results can be of great importance in Raman spectral signal detection of gene-chips.
		2007 Vol. 27 (05): 940-943 [Abstract] ( 1712 ) PDF (1294 KB) ( 640 )

	944	TLC-SERS Study on Evodiamine in Evodia Rutaecarpa
		ZHANG Jin-zhi¹,WANG Yuan²,CHEN Hui²,SHAO Hui-bo²
		A new method for analyzing the ingredients of evodiamine(EV), rutaecarpine(RU), hydroxyevodiamine(HYD), evodiamide(ED), dihydrorutaecarpine(DRU) and 14-formyldihydrorutaecarpine(FDRU)in evodia rutaecarpa using high performance thin layer chromatography (TLC) and surface enhanced Raman spectroscopy (SERS) technique is reported. The character of this method is that standard samples are not needed . The results show that the characteristic spectral bands of EV, RU, HYD, and ED can be obtained from the TLC spot with microgramme of sample. The spectral band at 1 562 cm^-1 was obtained with great enhancement. Molecule absorbed in surface silver sol by π electrons in ring. The spectral bands of EV, RU, HYD and ED are obviously different due to their differences in structure. The TLC and SERS techniques standard samples are a convenient and speedy method to analyze chemical ingredients with high sensitivity for the study of the Chinese traditional medicine.
		2007 Vol. 27 (05): 944-947 [Abstract] ( 2535 ) PDF (1225 KB) ( 552 )

	948	Nano-Silver Colloids Prepared by Electrolysis and Research on Its SERS Activity
		SI Min-zhen¹,FANG Yan²,PENG Jia-lin¹,ZHANG Peng-xiang³
		Three kinds of nano-silver colloids have been prepared by electrolysis of silver rod using sodium citrate solution and AgNO₃ mixed with polyvinyl alcohol solution as electrolyte and applying 7 V direct current for one hour. Nano-silver colloids have been investigated by means of TEM, absorption spectrum, electrophoresis experiment and SERS. The particle size ranges roughly from 20 nm to 25 nm (spheroid) for sample 1, from 20 nm to 35 nm (spheroid) for sample 2，and from 30 to 80 (many-sided) for sample 3, featuring absorption maximum at 404, 421 and 434 nm, respectively. The surface charge of these three kinds of colloidal silver particles is positive. In order to test if these nano-silver colloids can be used for SERS research, the cationic molecular fuchsine basic, methylene blue, anionic molecular benzoic acid, methyl orange, neutral molecular alcidine orange, and Sudan red were used. It was found that these nano-silver colloids have strong SERS activity. Furthermore, the nano-silver colloids that used AgNO₃ mixed with polyvinyl alcohol solution as electrolyte has the strongest SERS activity among all the tested molecules. The SERS of methyl orange has been obtained on the nano-silver colloids, which has not been obtaind on the colloids prepared by electrolysis of silver rod using sodium citrate solution and on the gray and yellow silver colloids prepared by traditional means. The possible reason has been explained. One major advantage of this method (using AgNO₃ mixed with polyvinyl alcohol solution as electrolyte) is the absence of the spectral interference.
		2007 Vol. 27 (05): 948-952 [Abstract] ( 244 ) PDF (1666 KB) ( 616 )

	953	Synthesis and Photophysical Properties of Two Kinds of Substituted Phthalocyaninatozinc
		ZHU Xiao-li¹,XU Xiu-zhi¹,YANG Liang¹,LIN Mei-jin1,WANG Jun-dong^1,2*,HUANG Jin-ling^1,2
		Two kinds of substituted phthalocyaninatozinc, tetra-β-phthalimidobutoxy phthalocyaninatozinc (1) and tetra-β-phthalimidomethyl phthalocyaninatozinc (2), were synthesized by mix melting method, which bear the same phthalimide substituents but the linking of the substituents to the phthalocyanine ring is different. The substituent linking to the phthalocyanine ring is one methylene in ZnPc (2), while the substituents linking to the phthalocyanine ring is four methylenes and one ather in ZnPc (1), in which ather is near by phthalocyanine ring. The absorption and fluorescence spectra and the abilities of singlet oxygen generation of these two phthalocyanines were compared with respect to the effect of different linked fashions. The magnitude of the redshift of absorption and fluorescence spectra relative to unsubstituded ZnPc is greater for tetra-β-phthalimidobutoxy phthalocyaninatozinc (1) than for tetra-β-phthalimidomethyl phthalocyaninatozinc (2). This result is related to the presence of stronger electron donating peripheral substituents of ZnPc (1), with Ф_F of (1) is larger than that of (2) and the abilities of singlet oxygen generation of (1) is smaller than that of (2).
		2007 Vol. 27 (05): 953-956 [Abstract] ( 1776 ) PDF (1359 KB) ( 577 )

	957	Study on the Application of Methybenzeneazosalicylfluorone to Spectrophotometric Determination of Microelement Molybdenum Modality Distributions in Soy Hydrolysate Hydrolyzed by Enzymes
		LIU Hui-zhen,LI Zai-jun^*
		A new method has been developed for spectrophotometric determination of molybdenum modality distributions in soy hydrolysate hydrolyzed by enzymes, based on the study on the color reaction of methybenzeneazosalicylfluorone (abbreviated as MBASF) with molybdenum(Ⅵ). In hydrochloric acid medium, MBASF reacts with molybdenum(Ⅵ) sensitively to form a stable red complex, its apparent molar absorptivity is 1.54 L·mol^-1·cm^-1,and 0-12 μg of molybdenum obeys Beer’s law in 25 mL of solution. Besides normal metal ions, protein, peptide and amino acid also have high tolerance limits. Soy hydrolysate hydrolyzed by enzyme (A) was precipitated at its isoelectric point, and the filtrate (B) was obtained. Subsequently, B was transferred to the chromatogram column with D301R resin. The column was purged by using 20 mL of HAc-NaAc(pH 3.6) and NH₄Cl-NH₃·H₂O buffer solution(pH 9) orderly and the effluent solutions C and D were obtained. A, B, C and D solutions were used for the spectrophotometric determination of total molybdenum, hydrolyzed molybdenum, chelated molybdenum by peptide or amino acid, and dissociative molybdenum, respectively.
		2007 Vol. 27 (05): 957-960 [Abstract] ( 1061 ) PDF (869 KB) ( 465 )

	961	Absorption Characteristics of FRLP-Cu(Ⅱ) Metal Complexes
		WANG Na,WANG Xue-mei,WANG Qing-cheng^*
		The technical pure azo dye FRL was purified by recrystallization with the solvent composed of ethanol and water whose volume ratio is 1∶1. The azo dye FRLP was obtained by coincidence reaction with phen after reoxidation reaction by purified FRL and sodium nitrite, which can be cooperated with Cu²⁺. And at room temperature the UV-Vis spectrum of FRLP-Cu²⁺ was studied. The form of the complex was confirmed by successive changing equal number of moles, which is in the B-R solution from pH 6 to pH 9, and the ratio of the complex(Cu²⁺∶FRLP) is 1∶2. In the B-R solution(pH 8.8) the mol absorption parameter of the complex is ε_{590 nm}＝9.5×10⁴ L·mol^-1·cm^-1,and the apparent stable constant is K＝5.12×10¹². The property of ultraviolet band spectrum of FRLP-Cu²⁺ was studied, showing that the aqueous solution of the complex can absorb the ultraviolet radiation strongly from 200 nm to 305 nm. The complex mixing with PVAL can also absorb ultraviolet radiation strongly. At the maxmium absorption wavelength in the visible zone and laid parallelly with the optical axis, the transmission of the single slice is 45%-50%, the transmission of two slices laid vertically is zero from 200 nm to 325 nm, and the averaged transmission from 325 nm to 400 nm is 10%.
		2007 Vol. 27 (05): 961-965 [Abstract] ( 469 ) PDF (1099 KB) ( 609 )

	966	Synthesis and Spectral Analysis of Three Kinds of Epoxy Pregnene Derivatives
		YIN Hai-bin,ZHENG Hu
		Three kinds of derivatives, 16α,17α-epoxy-6-methylene-pregn-4-ene-3,20-dione(EMPD Ⅰ), 16α,17α-epoxy-6-methyl-pregn-4,6-diene-3,20-dione (EMPD Ⅱ) and 16α,17α-epoxy-6-methyl-pregn-4-ene-3,20-dione(EMPD Ⅲ) were synthesized and their FTIR，UV and ¹H NMR spectra were described. EMPD Ⅱ is a novel compound. In the UV spectra, the maximum absorptions peaks of EMPD Ⅰ, EMPD Ⅱ and EMPD Ⅲ are at 259, 287 and 239 nm respectively. Their IR spectra are also obviously different. For EMPD Ⅰ, there are two absorption peaks, which are respectively at 3 084 cm^-1 originated from CH₂ and 3 030 cm^-1 from CCH. For EMPD Ⅱ and Ⅲ, there is only one absorption peak at 3 054 cm^-1. From 1 710-1 660 cm^-1,only one absorption peak appears for EMPD Ⅲ, but two appear for EMPD Ⅰ and EMPD Ⅱ. In ¹H NMR spectrum, the peaks at 4.92(s, 1H), 5.06(s, 1H) and 5.88(s, 1H) were observed for EMPD Ⅰ; the peaks at 1.83(s, 3H), 5.87(s, 1H) and 5.85(s, 1H) for EMPD Ⅱ; while the peaks at 1.06-1.07(d, 3H), 5.78 ppm(s, 1H, 1 ppm=1 μg·mL^-1), for EMPD Ⅲ.
		2007 Vol. 27 (05): 966-968 [Abstract] ( 1224 ) PDF (1287 KB) ( 578 )

	969	Study on Spectral Behavior of Meso-Tetra-(3,5-Dibromo-4-Hydroxyphenyl) Porphyrin with Calf Thymus DNA
		DUAN Cai-hong, CHEN Xin, SUN Shu-ting, MA Hong-min, WANG Jin, DU Bin^*, WEI Qin
		The binding characteristics of meso-tetra-(3,5-dibromo-4-hydroxphenyl) porphyrin [T(DBHP)P] with calf thymus DNA (ct DNA) in pH 4.92 HAc-NaAc buffer solution were studied by the techniques of spectrophotometry. At the maxium absorption wavelength for T(DBHP)P, the decrease in the absorbance was linear with the amount of ct DNA. The experiments indicated that under optimum conditions, ct DNA obeys Beer′s law in the range of 0.20-1.80 μg·mL^-1,and the limit of detection is 0.024 μg·mL^-1. Tween-80 microemulsion was commended in the experiment for better sensitivity. Furthermore, the association number is also determined by molar ratio method. The interactional mechanism between ct DNA and (T(DBHP)P was investigated as well.
		2007 Vol. 27 (05): 969-972 [Abstract] ( 1729 ) PDF (1067 KB) ( 610 )

	973	Spectroscopic Study on Binding of Indomethacin to Bovine Serum Albumin
		CAO Xi-min,DU Li-ming^*
		The interaction between indomethacin (IM) and bovine serum albumin (BSA) under physiological condition was studied using fluorescence and absorption spectra. It was proved that fluorescence quenching of BSA by IM is deduced by combining static quenching with nonradiative energy transfer. The binding constants were obtained by fluorescence quenching method. The main sorts of binding force were determined according to the thermodynamic parameters. The binding distances and energy transfer efficiencies between indomethacin and bovine serum albumin were obtained based on the theory of Frster nonradiative energy transfer. Combining the results of UV absorption and fluorescence spectroscopic methods, the binding mode of IM with BSA was discussed.
		2007 Vol. 27 (05): 973-977 [Abstract] ( 412 ) PDF (1538 KB) ( 504 )

	978	VUV Spectral Properties of CaMgSi₂O₆∶Eu
		ZHOU Dan,HE Da-wei^*,HOU Tao
		CaMgSi₂O₆∶Eu samples were synthesized by a normal solid state reaction using CaCO₃,MgO, SiO₂ and Eu₂O₃ as starting materials. The properties of structure, VUV excitation and luminescence under VUV excitation were studied. CaMgSi₂O₆∶Eu belongs to the monoclinic space group, and the crystal structure does not change as the crystal lattice is doped with Eu ions. The emission spectra of CaMgSi₂O₆∶Eu³⁺ have revealed an intense and sharp (611 nm) red color emission from Eu ³⁺ (⁵D₀→⁷F₂) transition under 147 nm VUV excitation. The correlative data shows that the concentration quenching occurs when the Eu³⁺ mole concentration ranges from 0.02 to 0.10 mol. The emission spectra of CaMgSi₂O₆∶Eu²⁺ have revealed an intense and sharp (452 nm) blue color emission from Eu ²⁺ (5d→4f) transition under 172 nm VUV excitation. It can be seen that the intensity of the emission peak increases with increasing H₃BO₃ concentration.
		2007 Vol. 27 (05): 978-981 [Abstract] ( 424 ) PDF (1540 KB) ( 429 )

	982	UV-Vis Spectroscopic Characterization of Sudan Series in Organic Solution
		ZHANG Jin-ping,YANG Sheng-ke^*,DUAN Lei,WANG Wen-ke
		The UV-Vis spectroscopic characterization of Sudan Ⅰ, Sudan Ⅲ and Sudan Ⅳ in nonpolar solvent ligarine，polar solvent acetonitrile, and acetonitrile-water mixture was studied. The characteristic absorption peaks of sudan series were a little red shifted in polar solvent compared to that in nonpolar solvent. In acetonitrile-water mixture the red shift of characteristic absorption peaks of sudan Ⅰ and sudan Ⅲ is respectively 13 and 8 nm, but the characteristic absorption peaks of sudan Ⅳ are red shifted before blue shifted. The increased adsorption strength of Sudan Ⅰ, Sudan Ⅲ and Sudan Ⅳ is 34.5%, 11% and 2.5% respectively. For these, the important reason is that the destroyed intramolecular hydrogen bond in Sudan series enlarges the scope of the π delocalized bond in polar solvent.
		2007 Vol. 27 (05): 982-985 [Abstract] ( 259 ) PDF (882 KB) ( 597 )

	986	Mechanism Studies on the Combination Reaction between Bovine Serum Albumin and Zincon by Fluorescence Spectra
		JIANG Zhi-qiang¹,CHI Yan-hua^1*,ZHUANG Jia²,BI Xin-ying¹,ZHOU Lei¹
		The characteristics of binding reaction between bovine serum albumin (BSA) and zincon (ZCN) were studied by fluorescence spectra and ultraviolet-visible absorption spectra. The bovine serum albumin can emit fluorescence (λ_em=345 nm) under irradiation of ultraviolet light (λ_ex=280 nm). After the zincon (ZCN) was added into BSA solution the fluorescence of BSA was quenched partially. The results indicated that ZCN was strongly bound to BSA. According to Stern-Volmer equation and Lineweaver-Burk equation, the quenching constant and the thermodynamic parameters were obtained. From the thermodynamic parameters the binding power between ZCN and BSA can be judged. The binding distance(r=5.07 nm) and energy transfer efficiency(E=0.67) between donor (BSA) and acceptor (ZCN) were obtained by Fōrster′s non-radiative energy transfer mechanism. It is confirmed that the combination reaction between ZCN and BSA is a single static quenching process, and their interaction may be interpreted with energy transfer mechanism.
		2007 Vol. 27 (05): 986-990 [Abstract] ( 1130 ) PDF (1374 KB) ( 480 )

	991	Effects of Different Ligands on the Fluorescence Intensity of Tb(Ⅲ)
		WANG Xi-gui¹,WU Hong-ying¹,WENG Shi-fu²,WU Jin-guang²
		The excitation and emission spectra of seven Tb³⁺ complexes were measured and investigated, especially by comparing their fluorescence intensities. The effect of different ligands on the fluorescence intensity of Tb³⁺ was analyzed in terms of ligand structure, energy transfer and energies matching. The result indicates that ligands do not influence the positions of characteristic emission peaks of Tb³⁺,but the emission intensity. The research shows that the better the conjugative effect and rigidity of the ligand, the stronger the fluorescence intensity of the complex. In addition, binary acid strengthens the fluorescence intensity more efficiently than monoatomic acid. Eventually, the IR and Raman spectra of seven complexes of Tb were discussed.
		2007 Vol. 27 (05): 991-994 [Abstract] ( 1590 ) PDF (922 KB) ( 490 )

	995	Study of Autofluorescence Spectra of Protoporphyrin Ⅸ in Human Serum
		GUO Xing-jia^1,2,LI Xiao-zhou³,XU Shu-kun^1*,TONG Jian²,JIANG Yu-chun²,KANG Ping-li²
		The fluorescence spectra of protoporphyrin Ⅸ (PPⅨ) solutions and human serum samples were measured and analyzed under physiological conditions. The experimental results showed that the fluorescence of PP Ⅸ in human serum was mainly derived from PPⅨ-serum albumin complex. Moreover, the effects of serum albumin and PPⅨ on the PP Ⅸ emission fluorescence were also investigated. Compared with pure PPⅨ solution, not only a red-shift of PPⅨ fluorescence peak was found for PPⅨ+albumin solution, but also albumin had a fluorescence enhancement effect on protoporphyrin Ⅸ. For the mixture of PPⅨ+albumin, with the increase of PPⅨ the wavelength of the PPⅨ emission peak will increased a little when its concentration was less than 0.8×10^-5 mol·L^-1,but was nearly invariable when its concentration was more than 0.8×10^-5 mol·L^-1.
		2007 Vol. 27 (05): 995-998 [Abstract] ( 543 ) PDF (1206 KB) ( 737 )

	999	Study on the Mechanism of Fluorescence Quenching of Pyridine by Bisazafulleroid[60] Derivative and Its Electrochemical Property
		HU Ji-wei¹,TANG Guang-shi^1,LI Mei-xian^2,SUN Ni-juan²
		The mechanism of the fluorescence quenching of pyridine by bisazafulleroid[60] derivative (eddy2) was discussed. When the C₆₀ and eddy2 were added into pyridine respectively, the intensity of 426.27 nm emission peak of pyridine decreased obviously and shifted towards shorter wavelength, a typical quenching phenomenon. The fluorescence quenching of eddy2-pyridine is caused by the static quenching process resulting from the formation of charge-translated complex between molecules. The dissociation constant of eddy2 from pyridine is K_D＝2.28×10^-6 (mol·L^-1). The combination constant of eddy2 is K_S＝4.39×10^-5 (L·mol^-1). The electrochemical properties of eddy2 were investigated by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) on a glassy carbon electrode in a mixed solvent of toluene and acetonitrile. The first three reduction waves for eddy2 shift to more positive than that for C₆₀,indicating the electroreduction of eddy2 is easier than that of C₆₀.
		2007 Vol. 27 (05): 999-1002 [Abstract] ( 1926 ) PDF (1155 KB) ( 563 )

	1003	Resonance Scattering Spectral Assay of Papain Enzymatic Activity with Sodium Dodecyl Benzene Sulfonate
		HUANG Guo-xia¹,JIANG Zhi-liang^1,2*,LIANG Ai-hui²,DENG Ye-cheng¹
		In pH 6.5 phosphate buffer solutions, dodecyl benzene sulfonate (SDBS) was combined with casein to form association particles, which exhibited five Rayleigh scattering peaks at 470, 360, 400, 420 and 520 nm, respectively. Under suitable conditions, papain has catalytic effect on the hydrolysis of casein, and SDBS can stop the catalytic reaction and be combined with the excess casein to form association particles. The scattering peak at 470 nm decreased with the activity of papain. The ΔI_{470 nm} value was linear with the papain activity in the range of 0.048-4.8 USP·mL^-1. Its regress equation is ΔI_SDBS=1.972c+2.31，with a related coefficient of 0.999 9 and detection limit of 0.020 USP·mL^-1. This new assay has been applied to the assay of the papain activity in food additive with satisfactory results.
		2007 Vol. 27 (05): 1003-1005 [Abstract] ( 2443 ) PDF (866 KB) ( 562 )

	1006	Studies on Light Catalysis Oxidation Degradation of Malachite Green by Photo-Fenton Reagent
		ZHENG Huai-li^1,2,PENG De-jun¹,LI Hong³,LI Xiao-hong³,WANG Bai-xue¹,XIE Li-guo²
		In the present paper, light catalysis oxidation degradation of Malachite Green by Photo-Fenton reagent was researched. The influences of various parameters such as the wave length-absorbency curve of Malachite Green, the concentration-absorbency curve of Malachite Green, initial pH, optimum dosage of Fe²⁺,optimum dosage of H₂O₂,different light sources and cation-exchange resin, on dye degradation were researched. Through numerous experiments，the optimum condition for Malachite Green degradation was given. Under the optimal conditions, the sun light can promote this reaction apparently and the reaction time can greatly be shortened too. After the cation-exchange resin was introduced into Fenton system, the activation of Fenton reagent for degradation reaction was enhanced to a great extent, and the degradation effect of Malachite Green was better.
		2007 Vol. 27 (05): 1006-1009 [Abstract] ( 1156 ) PDF (1157 KB) ( 720 )

	1010	Studies on Preparation of CdS/TiO₂/Float Pearls Coupled Photocatalyst and Degradation of Beta-Cypermethrin
		YAO Bing-hua¹,ZHENG Huai-li²,YANG Li-qin¹,TIAN Ping¹,PANG Xiu-fen¹
		The coupled photocatalyst of CdS/TiO₂/float pearls was prepared by sol-gel-dipping method, and its structure characterization was carried out with SEM and XRD analysis. As a model reaction, the photocatalytic degradation of beta-cypermethrin(BEC) was investigated in CdS/TiO₂/float pearls powder suspension irradiated by different light sources. The effects of influence factors on the photocatalytic activity were discussed for the prepared photocatalyst. The results showed that under the following conditions: amount of photocatalyst 3 000 mg·L^-1,initial concentration of BEC 45 mg·L^-1,initial pH 6.5, and air flow rate 200 mL·min^-1,the degradation rate of BEC reached 87.9%(125 W Hg lamp in 1 hour), 79.3%(5 W UV lamp in 1 hour) and 93.4% (solar light in 5 hours), respectively. The photocatalytic degradation of BEC was experimentally demonstrated to follow the Langmuir-Hinshelwood kinetic model, and the reaction rate constant (9.80 mg·(L·min)^-1) and the adsorption constant (4.36×10^-3L·mg^-1 ) were determined, respectively.
		2007 Vol. 27 (05): 1010-1014 [Abstract] ( 454 ) PDF (1207 KB) ( 553 )

	1015	Application of ICP-MS to the Detection of Forty Elements in Wine
		RUI Yu-kui, YU Qing-quan, JIN Yin-hua, GUO Jing, LUO Yun-bo^*
		With the rapid development of wine, more and more people begin to pay more attention to its ingredients. Four kinds of wine were studied by ICP-MS to detect the heavy metals and microelements. The results showed that the wine contained many elements necessary to human health: 7 kinds of macroelements and 29 kinds of microelements. The sequence of macroelements is K>P>Mg>Ca>Na>Al≈Si. The concentration of K is more than 900 μg·mL^-1,sometimes reaching 2 359 μg·mL^-1(shelongzhu). Six kinds of elements (Rb, Mn, Sr, Zn, Fe and Ba) among 28 kinds of microelements are higher than 200 ng·g^-1,and some elements are more than 1 000 ng·mL^-1(Rb, Mn and Sr), which is important to human health. In addition to microelements, contents of heavy metals (As, Cr, Pb and Cd) are also an important standard to identify the quality of wine, and the results showed that wine contains little heavy metals, whose sequence is As(less than 50 ng·g^-1)>Cr>Pb>Cd. All the data showed that the wine meets the national hygiene standards.
		2007 Vol. 27 (05): 1015-1017 [Abstract] ( 2483 ) PDF (880 KB) ( 622 )

	1018	Combination of Separation/Preconcentration Based on Nanoscale TiO₂ and FAAS for the Simultaneous Determination of Cr(Ⅲ)/Cr(Ⅵ)in Water
		CHEN Song-tao^1,2,YAN Yong-sheng^1*,XU Wan-zhen¹,LIU Hua¹,JING Jun-jie¹,XIE Ji-min¹
		The nanometer-sized materials have attracted much interest of analysts in recent years because of their special physics-chemistry characteristics. As the scale decreases to nanometer grade, the number of atoms on the surface increases remarkably, resulting in the unsaturation. This makes the nanometer-sized materials have a high adsorptivity for the metal atoms. In the present paper, the nanometer-sized TiO₂ was applied in the separation and preconcentration of Cr(Ⅲ) and Cr(Ⅵ) in water. The influence of pH on the adsorption of Cr(Ⅲ) and Cr(Ⅵ) was studied. When pH is larger than 6, 90%, Cr(Ⅲ) is adsorbed onto the nanometer-sized material surface, while is basically not adsorbed in aqueous solution. Therefore, the separation of Cr(Ⅲ) and Cr(Ⅵ) is achieved. At the pH of 6.5, Cr(Ⅲ) was adsorbed by nanometer-sized TiO₂ and desorbed with 2.0 mol·L^-1 HCl, in which the Cr(Ⅲ) could be preconcentrated. The Cr(Ⅲ) solution, as well as the Cr(Ⅵ) aqueous solution was determined by FAAS. The detection limits of Cr(Ⅲ) and Cr(Ⅵ) were 41 and 57 ng·mL^-1,respectively. And the linear ranges for Cr(Ⅲ) and Cr(Ⅵ) were 0-9.0 μg·mL^-1 and 0.1-10 μg·mL^-1 with a RSDs of 2.6% and 3.4% (n=6, c=2.0 μg·mL^-1), respectively. This method was applied in the simultaneous determination of Cr(Ⅲ) and Cr(Ⅵ) in the industrial wastewater and river water, and the satisfactory recovery results were obtained.
		2007 Vol. 27 (05): 1018-1020 [Abstract] ( 2486 ) PDF (935 KB) ( 579 )

	1021	Direct Determination of Manganese in Edible Fungi Using Suspension Sample Introduction and Hypo-Sensitive Wavelength by Flame Atomic Absorption Spectrometry
		WANG Yuan-zhong¹,LI Tao²,LIU Hong-gao^3*,LI Xing-kui³
		A method for the direct determination of manganese in edible fungi using suspension sample introduction and hypo-sensitive wavelength by flame atomic absorption spectrometry(FAAS) was developed without chemical treatment. Agar sol was used as a suspending agent. Ground and sieved edible fungi sample was suspended homogeneously in the agar sol and introduced into air-acetylene flame, and manganese in the sample was determined directly. The results showed that the method was simple, and rapid with no interference. The linear range was 0-12 μg·mL-1. The relative standard deviation (RSD) was 0.67% and the recovery was 97%-99%. It has been applied to the determination of manganese in edible fungi, standard boletus edulis and melanoleuca arcunta samples, and satisfactory results were achieved.
		2007 Vol. 27 (05): 1021-1023 [Abstract] ( 2485 ) PDF (888 KB) ( 623 )

	1024	Study on X-Ray Powder Diffraction of Various Structured Zinc Titanate Prepared by the Method of Direct Precipitation
		GUO Jian,WANG Zhi-hua,TAO Dong-liang,GUO Guang-sheng^*
		Zinc titanate powders were prepared from Ti(SO₄)₂,Zn(NO₃)₂·6H₂O and (NH₄)₂CO₃ by the method of direct precipitation. The effects of reaction conditions on the structure of zinc titanate were studied. The sample was analyzed by means of XRD and TG-DTA. The structure of zinc titanate was affected by the reaction subsequence of the formation of titanic acid and zinc carbonate. In the reaction system where titanic acid was generated earlier, collision reaction occurred between the generated zinc carbonate molecule and the surrounding titanic acid molecule. When titanic acid was generated earlier and precipitant (NH₄)₂CO₃ was sufficient, Zn₂Ti₃O₈ was obtained because of the sufficient collision reaction and superfluous titanic acid. In the reaction system where zinc carbonate was generated earlier, collision reaction occurred between the generated titanic acid molecule and the surrounding zinc carbonate molecule. When zinc carbonate was generated earlier and precipitant (NH₄)₂CO₃ was sufficient, Zn₂TiO₄ was obtained because of the sufficient collision reaction and superfluous zinc carbonate. In addition, the kinds and structure of the production were affected by the dosage of precipitant and the reaction temperature. Zn₂Ti₃O₈ or Zn₂TiO₄ could be obtained easier when using more precipitant or higher reaction temperature which could cause more sufficient collision reaction. ZnTiO₃ could be obtained under the conditions of less precipitant and lower reaction temperature.
		2007 Vol. 27 (05): 1024-1028 [Abstract] ( 1618 ) PDF (1420 KB) ( 410 )

	1029	Analysis of the Contents of Elements in Spirulina from Different Producing Areas
		GUAN Ying,ZHAO Hai-ying,DING Xi-feng,ZHU Yan-ying
		Five samples of spirulina from different producing areas were analyzed and characterized with X-ray fluorescence analysis. The contents of K, Na, Ca, Mg, Fe, Zn and Mn in spinrulina samples from different producing areas were determined. The results show that spinrulinas are rich in microelements that human body needs. The spectra of main elements of spirulina from different producing areas are similar, but the content of each elements is different. The content of K is 5.00% averagely, the highest in the five samples, the content of Na is 0.352%, and the ratio of Na/K is 0.070 on average. The relationship between K, Na/K and medical care efficiency was studied. Lesser value of Na/K is helpful to hypertension patients. It was suggested that hypertension patients should take in less Na, but more K. This can help prevent and cure hypertension. The method proves to be simple, rapid, accurate, and highly sensitive, and can be used for simultaneous multielement determination. The authors’ study provides a new scientific foundation for further study and general application of spirulina.
		2007 Vol. 27 (05): 1029-1031 [Abstract] ( 1876 ) PDF (842 KB) ( 533 )

	1032	Enlargement Test of Synthesis of MCM-22 Zeolite by Means of XRD
		SHI Jian-gong^1,3,LU Guan-zhong¹,CAO Gang²,YU Xiao-dong²
		On the basis of MCM-22 zeolite synthesis at the static condition in 100 mL lined PTFE autoclave, 250 and 1 000 mL stainless steel autoclave respectively, the synthesis of MCM-22 zeolite was studied at the rotating condition in 2, 5 and 200 L autoclave respectively. The samples as-synthesized and calcined were characterized by means of XRD and so on. The results show that all the synthesized samples are the pure MCM-22 zeolites, and their crystallinities were high, and MCM-22 zeolite can be synthesized successfully at the rotating condition in 200 L stainless steel autoclave.
		2007 Vol. 27 (05): 1032-1035 [Abstract] ( 2432 ) PDF (934 KB) ( 716 )

	1036	Determination of Pb, Cd, Hg and As in Three Sorts of Chinese Traditional Medicine Treating Tumor by ICP-MS
		SHI Li-fei¹,XUE Da-fang²,XU Heng-gui¹,LIU Hui¹,TENG Wen-feng^1*
		A method was proposed to determine Pb, Cd, Hg and As in three sorts of Chinese traditional medicine treating tumor (Jinkehuaier, Huachansu and Fufangkushen) by ICP-MS. The result shows that the contents of the four elements Pb, Cd, Hg and As in these three sorts of Chinese traditional medicine treating tumor are low, which are all correspond with the import standard in Southeast Asia. The contents of Hg and As in Jinkehuaier are higher than the standard of U. S. FDA about drug and health food. ICP-MS is a quick and accurate method for the determination of Pb, Cd, Hg and As in Chinese traditional medicine.
		2007 Vol. 27 (05): 1036-1037 [Abstract] ( 205 ) PDF (831 KB) ( 538 )

　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