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

2009 Vol. 29, No. 12 Published: 2009-12-01

光谱学与光谱分析

	3169	Algorithm for Restoring Spectrogram with Sub-Pixel Resolution
		YANG Huai-dong, CHEN Ke-xin, HE Qing-sheng, JIN Guo-fan
		DOI: 10.3964/j.issn.1000-0593(2009)12-3169-04
		Insufficient spatial resolution of detectors is an obstacle to capturing spectra with high resolution. An effective solution is sub-pixel restoration, which can restore a high resolution spectrogram from sub-pixel shifted low resolution ones. In the present paper, an algorithm for sub-pixel restoration is suggested. It utilizes the bidirectional recursive relation between sub-pixel values and estimates each sub-pixel value from both directions of head-end and end-head. As a result, the averaged value will be accepted as the sub-pixel value. Numerical experiments on single gauss profile and superposition ones verified the effectiveness of the algorithm.
		2009 Vol. 29 (12): 3169-3172 [Abstract] ( 1242 ) PDF (1007 KB) ( 403 )

	3173	Trace Detection of Ammonia at 1.531 μm
		JIA Hui^1,2, GUO Xiao-yong³, CAI Ting-dong^1,2, ZHAO Wei-xiong1,2, WANG Lei^1,2, TAN Tu^1,2, ZHANG Wei-jun^1,2,GAO Xiao-ming^1,2
		DOI: 10.3964/j.issn.1000-0593(2009)12-3173-04
		A compact instrument based on the off-axis integrated-cavity output spectroscopy (ICOS) technology was developed for sensitive measurements of gas mixing ratios (ammonia in air) at room temperature by using fiber-coupled distributed feedback (DFB) diode laser operating at 1.531 μm. The absorption line of ammonia at 6 528.764 cm^-1 was chosen for trace detection. The mirrors’ effective reflectivity R² of 0.996 9 was first calibrated by carbon dioxide under this condition，and the cavity 35.8 cm in length as an absorption cell could yield an optical path of presumably 115.46 m. As a result, a minimum detectable concentration of approximately 2.66 ppmv (S/N～3) at the total pressure of 100 torr was obtained. Then the lock-in amplifier was added in the system to acquire the second harmonic signal by combination of wavelength modulation technology, which could better suppress background noise and improve the signal-to-noise ratio, and a detection limit of 0.293 ppmv (S/N～3) was achieved eventually. This work demonstrated the potential of the system for a range of atmospheric species sensing in the future.
		2009 Vol. 29 (12): 3173-3176 [Abstract] ( 464 ) PDF (910 KB) ( 421 )

	3177	Experimental Study on Flame Temperature Measurement by Double Line of Atomic Emission Spectroscopy
		CHEN Xiao-bin,CAI Xiao-shu,FAN Xue-liang,SHEN Jia-qi
		DOI: 10.3964/j.issn.1000-0593(2009)12-3177-04
		The flame temperature was measured by the double line of atomic emission spectroscopy according to the spectra of K (766.5 and 769.9 nm) whose relative intensity was obtained by fiber spectrometer. The principles, methods and experiment system were described. The temperature measured by the double line of atomic emission spectroscopy was compared to the results measured by thermal couple under the condition of thermal equilibrium of blackbody furnace. The comparison indicated a good coherence between these two measurement methods. The method was demonstrated on coal powder and timber, and the temperature measured corresponded to reality.
		2009 Vol. 29 (12): 3177-3180 [Abstract] ( 1857 ) PDF (908 KB) ( 428 )

	3181	Intra-Pulse Spectroscopy Based on Room-Temperature Pulsed Quantum-Cascade Laser for N₂O Detection
		WANG Min, ZHANG Yu-jun^*, LIU Wen-qing, KAN Rui-feng, CHEN Zhen-yi, TANG Yuan-yuan, LIU Jian-guo
		DOI: 10.3964/j.issn.1000-0593(2009)12-3181-04
		Mid-infrared lasers are very suitable for high-sensitive trace-gases detection in that their wavelengths cover the fundamental absorption lines of most gases. Quantum-cascade lasers have been demonstrated to be ideal light sources with their especially high power, wide range of tuning capability and favorable operating condition on room-temperature. The intra-pulse spectroscopy based on a room-temperature distributed-feedback pulsed QC laser is a simple and effective trace gas detective method to detect trace-gas qualitatively or quantificationally. When a long excitation pulse is applied to a QC laser, the laser frequency tunes almost linearly to lower wave number (lower frequency) as a function of time so all absorption spectral elements are recorded during a single laser pulse. In the present paper, the method was introduced, and identification of N₂O spectral fingerprint using this spectroscopy was demonstrated experimentally. The thermal chirp from a 500 ns long excitation pulse was applied to a quantum-cascade laser to get a fast wavelength scanning, thus a wave number tuning of about 1 cm^-1 was produced. The N₂O absorption spectrum centered at 1 273.7 cm^-1 was also obtained. The measured absorption spectrum is consistent with HITRAN data precisely.
		2009 Vol. 29 (12): 3181-3184 [Abstract] ( 1825 ) PDF (953 KB) ( 391 )

	3185	Study on the Optical Properties of Flame Soot in the Terahertz Spectra Domain
		LIU Dong, YAN Jian-hua^*, WANG Fei, HUANG Qun-xing, CHI Yong, CEN Ke-fa
		DOI: 10.3964/j.issn.1000-0593(2009)12-3185-05
		Flame soot is an import product as a result of incomplete combustion of hydrocarbon fuels, and has important effect on the generation of some pollutant. The optical properties of the soot are the base for the optical combustion diagnostics. Terahertz time-domain spectroscopy technique was used to study the optical properties of the soot within 0.2-1.6 THz and the frequency-domain spectra were obtained through Fourier transform. The complex refractive index of the soot was deduced by the fixed-point iteration. The comparison of the complex refractive index between terahertz spectra domain and thermal radiation spectra domain was conducted and two methods of extracting the parameters were also compared. The results indicated that the soot has strong absorption in the studied spectra and the difference in the refractive index between the two spectra domains was not obvious, but the absorptive index variation in the thermal radiation spectra domain was larger. The difference between the two parameter extraction methods was not significant. The deduced results can provide the optical data of soot for the application of terahertz time-domain spectroscopy technique to the optical combustion diagnostics, and extend the optical combustion diagnostics application area.
		2009 Vol. 29 (12): 3185-3189 [Abstract] ( 1280 ) PDF (1270 KB) ( 418 )

	3190	Reflectance Spectroscopy Study of Low-Frequency Ultrasound and Glycerol on Skin Optical Clearing
		ZHONG Hui-qing¹,GUO Zhou-yi¹,WEI Hua-jiang^1*,ZHANG Zu-de¹,YANG Hong-qin²,XIE Shu-sen²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3190-05
		In order to find a non-invasive way to improve the efficacy of skin optical clearing with topically applied optical clearing agents, the authors researched the changes of reflectance spectroscopy of skin tissues before and after being dealt by low-frequency ultrasound and osmotic active chemical agents within the wavelength range of 400-860 nm, and the degree of changes in reflectance spectroscopy of each group skin during 0-15 min and 15-30 min at 580 nm. The measurements were performed using a AvaSpec-2048 optical fiber spectrometer with integrating-sphere setup. The results of measurements showed that there were a few changes of the reflectance spectroscopy of skin tissues in the control group (Group 1) (The skin tissue was dealt with nothing.) during the whole observation; But in the Group 2 (The skin tissue was dealt with only low-frequency ultrasound), it was found that the reflectance of the skin tissue showed a significant increase comparing 15 min with 0 min, but the changes in reflectance of the tissues slowly restored the original form following the longer time since the ultrasound stopping; There was also a very fast changes in reflectance of the skins in the Group 3 (the skin were dealt with only 80% glycerol) compared with that in the Group 1. The authors also found that there was a very distinct decrease in the reflectance of skin tissues dealt with both low-frequency ultrasound and 80% glycerol group (Group 4), especially during the 0-15 min, and its speed was 4.0 times that of the Group 1 and 2.3 times that of Group 3 (During 0-15 min, the reflectance of skin tissues in the Group 1 decreased 1.896%; the reflectance of skin tissue in the Group 3 decreased 3.316%; the reflectance of skin tissues in the Group 4 decreased 7.551%). From the above results, it can be clearly seen that the low-frequency ultrasound and 80% glycerol not only have synergistic effect on optical clearing of skin tissue in vitro, but can change the optical clearing of the skin tissue in a short time.
		2009 Vol. 29 (12): 3190-3194 [Abstract] ( 299 ) PDF (868 KB) ( 389 )

	3195	Research on the Influence of Infrared Spectral Resolution on Gas Quantitative Analysis
		ZHAO Jian-hua, WEI Zhou-jun, GAO Ming-liang, FANG Jun
		DOI: 10.3964/j.issn.1000-0593(2009)12-3195-04
		Spectra with different resolution (1, 2, 4 and 8 cm^-1) of samples with combined CO/CO₂/NO were used to build models for quantitative analysis of each component. Using these models, the influence of spectral resolution on gas quantitative analysis was studied. Research data show that for each component there is a best competent resolution for its quantitative analysis. And the quantitative analysis of all involved components has good calibration accuracy with higher resolution (1/2 cm^-1) and lower resolution (8 cm^-1), giving the relatively high mean of correlation coefficient of each component (r) more than 0.999 5，and the mean of root mean square error of calibration (RMSEC) and root mean square error of prediction (RMSEP) of each component below 18.36 and 15.43 respectively, but the calibration accuracy of the model with moderate resolution of 4 cm^-1 dropped sharply, giving the mean of correlation coefficient of each component (r) of 0.989 66，and the mean of root mean square error of calibration (RMSEC) and root mean square error of prediction (RMSEP) of each component of 90.37 and 64.33 respectively. These results demonstrate that the spectral resolution has an important effect on the calibration accuracy of gas quantitative analysis model and the successful application of FTIR. As can be seen, the accuracy of gas quantitative analysis is highly dependent on the proper selection of spectral resolution. In order to improve the accuracy of gas quantitative analysis, it is very important to select suitable spectral resolution depending on different components and various application situations.
		2009 Vol. 29 (12): 3195-3198 [Abstract] ( 1168 ) PDF (930 KB) ( 428 )

	3199	Techniques of On-Line Monitoring Volatile Organic Compounds in Ambient Air with Optical Spectroscopy
		DU Zhen-hui, ZHAI Ya-qiong, LI Jin-yi, HU Bo
		DOI: 10.3964/j.issn.1000-0593(2009)12-3199-05
		Volatile organic compounds (VOCs) are harmful gaseous pollutants in the ambient air. The techniques of on-line monitoring VOCs are very significant for environment protection. Until now, there is no single technology that can meet all the needs of monitoring various VOCs. The characteristics and present situation of several optical methods, which can be applied to on-line monitoring VOCs, including non dispersive infrared (NDIR), Fourier transform infrared (FTIR) spectroscopy, differential optical absorption spectroscopy (DOAS), and laser spectroscopy were reviewed. Comparison was completed between the national standard methods and spectroscopic method for measuring VOCs. The main analysis was focused on the status and trends of tuning diode laser absorption spectroscopy (TDLAS) technology.
		2009 Vol. 29 (12): 3199-3203 [Abstract] ( 2111 ) PDF (586 KB) ( 445 )

	3204	Effect of Hole Transporting Materials on Photoluminescence of CdSe Core/Shell Quantum Dots
		QU Yu-qiu^1,2, ZHANG Qing-bin^1,2, JING Peng-tao^1,2, SUN Ya-juan¹, ZENG Qing-hui¹, ZHANG You-lin¹, KONG Xiang-gui^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3204-04
		Photoluminescence quenching of colloidal CdSe core/shell quantum dots in the presence of hole transporting materials was studied by means of steady state and time resolved photoluminescence spectroscopy. With increasing hole transporting materials concentration in the CdSe core/shell quantum dot solution, the photoluminescence intensity and lifetime decreased gradually. The photoluminescence quenching of CdSe/ZnSe quantum dots with adding hole transporting material N,N′-bis(1-naphthyl)-N,N′-diphenyl-1,1′-biphenyl-4,4′-diamine (NPB) is more efficient than N,N′-diphenyl-N,N′-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine (TPD). And compared with CdSe core/shell quantum dots with ZnSe shell, the ZnS shell is an effective one on the surface of CdSe quantum dots for reducing photoluminescence quenching efficiency when interacting with hole transporting material TPD. Based on the analysis, there are two pathways in the photoluminescence quenching process: static quenching and dynamic quenching. The static quenching results from the decrease in the number of the emitting centers, and the dynamic quenching is caused by the hole transfer from quantum dots to hole transporting materials molecules. The efficiency of the photoluminescence quenching in CdSe core/shell quantum dots is strongly dependent on the structure of the shells and the HOMO levels of the hole transporting materials. The results are important for understanding the nature of quantum dots surface and the interaction of quantum dots and hole transporting materials.
		2009 Vol. 29 (12): 3204-3207 [Abstract] ( 607 ) PDF (1023 KB) ( 423 )

	3208	The Stark Broadening and Stark Shift with Different Electric Microfield Distribution Functions
		RAN Jun-xia¹,LI Xia¹,ZHANG Shao-peng²,DONG Li-fang¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3208-04
		The Stark broadening and Stark shift were described with different electric microfield distribution functions. These microfield distribution functions include Holtsmark, Neutral Point, Nearest-Neighbor and Mayer model microfield distribution function. The Stark profiles with four microfield distribution functions were studied and the Stark broadening and Stark shift were obtained from the Stark profiles to study the influence of different electric microfield distribution functions on Stark broadening and Stark shift. The results show that the influence of different electric microfield distribution functions on Stark broadening and Stark shift increases with the plasma ions impact parameter with the same electrons impact broadening parameter. With the increase in the plasma electrons impact parameter the influence of different electric microfield distribution functions increases with the same ion impact broadening parameter. Especially, the influence of Mayer model electric microfield distribution function is very distinct when the ion impact broadening parameter is larger. It is illuminated that the plasma ions intense impact has great influence on the spectral line profile. It is very important for the plasma diagnosis to select appropriate electric microfield distribution function. The results have important reference for the plasma diagnosis.
		2009 Vol. 29 (12): 3208-3211 [Abstract] ( 676 ) PDF (753 KB) ( 357 )

	3212	Microstructure and Spectral Property of Er³⁺ Doped Transparent Oxyfluoride Glass Ceramics with High Fluorine Contents
		LIN Le-jing, REN Guo-zhong^*, CHEN Min-peng, LIU Yang
		DOI: 10.3964/j.issn.1000-0593(2009)12-3212-04
		The microstructure and spectral properties of Er³⁺ doped transparent oxyfluoride glass ceramics with high fluorine content were reported. Two samples with the same initial contents (50SiO₂-45PbF₂-5PbO-1ErF₃) were prepared under the different preparation parameters. The final fluorine contents were detected by a fluoride ion selective electrode. The results shows that the final fluorine contents increase by covering crucibles with corundum lid during melt. The samples were characterized by X-ray diffraction, transmission electron microscopy (TEM), absorption spectra and upconversion luminescence spectra. The results show that PbF₂ crystals were precipitated in the sample with high fluorine content before heat treatment. And the PbF₂ crystals precipitated inside the glass matrix are spherical with diameters of approximately 10-15 nm in size from the high resolution TEM micrograph. The absorption spectra, J—O parameters and the upconversion spectra show that the Er³⁺ ions were located in crystalline and vitreous mixed states. It is different from the sample with low fluorine content which is completely amorphous. After heat treatment, Er³⁺ ions that remain in the glassy phase entered into fluoride nanocrystals in the sample with high fluorine content. The fluorine environment decreases non-radiative transfer which eases the upconversion processes. Hence, the upconversion luminescence intensity of Er³⁺ ions in the high fluorine content sample after heat treatment is much stronger than that in the precursor sample.
		2009 Vol. 29 (12): 3212-3215 [Abstract] ( 2131 ) PDF (1149 KB) ( 372 )

	3216	The Distribution Analysis of the Biomarkers on Breast Cancer Tissues by Hadamard Transform Spectral Microscopic Imaging
		XU Hao¹, CHEN Chuang², LIU Chun-mei¹, PENG Jun¹, LI Yan², ZHANG Zhi-ling¹, TANG Hong-wu^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3216-04
		Multi-functional Hadamard transform spectral microscopic imaging system was employed to provide high-resolutional fluorescence spectrum and image of tiny samples such as single cells and tissues. Semiconductor quantum dots (QDs) have several photo-physical advantages such as broad excitation spectrum, multi-color fluorescence with one single wavelength light source, narrow fluorescence emission peak, high photostability and long fluorescence lifetime, which make QDs good markers of the fluorescence spectral imaging microscopic analysis in biomedical applications. Based on immunostaining with quantum dots (QDs) emitting at 610 nm to tag and trace two breast cancer biomarkers human epidermal growth factor receptor 2 (HER2) and estrogen receptor (ER) in human breast cancer tissue with in situ fluorescence imaging, sensitive spectra and images were obtained. Moreover, by comparing the differences of fluorescence spectra and 4D images between positive samples,(the human breast cancer tissues) and negative control,(the normal human breast tissues) by Hadamard transform spectral microscopic imaging system, a method to evaluate tumor malignancy of breast cancer tissues based on the analysis of distribution of HER2 and ER was proposed. The results show that the Hadamard system can be applied to visualize and quantitatively measure the subcellular proteins such as HER2 and ER inside the tumor tissues. The method developed with the above technique can be applied to quantitatively evaluate tumor malignancy and is advantageous over conventional method.
		2009 Vol. 29 (12): 3216-3219 [Abstract] ( 1704 ) PDF (924 KB) ( 395 )

	3220	Electrooptical Properties of Nanoscale and Bulk SrAl₂O₄∶Eu, Dy
		DUAN Xiao-xia, HUANG Shi-hua^*, TENG Feng, XU Zheng,DONG Li-qiang
		DOI: 10.3964/j.issn.1000-0593(2009)12-3220-03
		Nanoscale and bulk SrAl₂O₄∶Eu²⁺, Dy³⁺ were prepared respectively by auto-combustion of citrate gelatin and high temperature solid state method. The crystalline structure was examined by X-ray diffraction (XRD). The current-voltage characteristic was measured with a Keithley source meter 2 410. The VUV spectra were carried out with VUV spectrometer. The result showed that light irradiation increased the current, which indicates that some electrons are excited to the conduction band of host lattice. VUV excitation spectrum of nanoscale SrAl₂O₄∶Eu²⁺, Dy³⁺ shifts to the shorter wavelength relative to bulk material because it has narrower bandgap. As a result, the current of nanoscale material is weaker than that of the bulk one.
		2009 Vol. 29 (12): 3220-3222 [Abstract] ( 1229 ) PDF (943 KB) ( 364 )

	3223	Investigation of Luminescence Mechanism of Hybrid MEH-PPV/ SiO₂ and Super Liner Characteristic of Amorphous SiO₂
		QU Chong¹, XU Zheng², CHEN Yue-ning²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3223-05
		For electricity induced luminescence of thin film, the heterojunction luminescence devices were produced by compounding the organic polymer of MEH-PPV and inorganic semiconductor SiO₂. Utilizing the super liner characteristic of SiO₂ as acceleration, multiplication and ionization, the solid-state cathodoluminescence was realized. The obvious feature of electroluminescence in the luminescence device with ITO/SiO₂/MEH-PPV/SiO₂/Al is that it has two spectral bands. In the electroluminescence spectra, the authors obtained both blue emission(403 nm)and excition luminescence(583 nm)of MEH-PPV and the intensity of the long and short wave peak changing with the voltage. Only long wave peak is observed when the voltage is low and only short wave peak appears when the voltage is high. It is the typical feature that the solid-state cathodoluminescence has two spectral bands. It is a new light emission, which has new mechanism and is important for the luminescence. One of the important aspects of the solid state cathodoluminescence theory is the super liner characteristic of SiO₂. In the present paper, the luminescence dynamics of solid-state cathodoluminescence, the super liner characteristic of SiO₂ in the higher electric field and the influences of thickness on it were studied.
		2009 Vol. 29 (12): 3223-3227 [Abstract] ( 580 ) PDF (926 KB) ( 355 )

	3228	Study on Luminescence Properties of a Novel Rare Earth Complex Eu(TTA)(2NH₂-Phen)₃
		YAN Guang¹, ZHANG Fu-jun^1*,XU Zheng¹, Lü Yu-guang², ZHAO Su-ling¹, LI Qiu-ping², KONG Chao¹, YUE Xin¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3228-04
		A novel rare earth complex Eu(TTA)(2NH₂-phen)₃ was synthesized.The Eu complex was blended with poly(N-vinylcarbazole)(PVK)in different weight ratios and spin coated into films.The photoluminescence of Eu(TTA)(2NH₂-phen)₃ was obtained. Multilayer devices with PVK∶Eu(TTA)(2NH₂-phen)₃ as the active layer were fabricated，and the device structure was ITO/PVK∶Eu(TTA)(2NH₂-phen)₃/ 2,9-dimethyl-4,-diphenyl-1,10-phenan throline(BCP) /8-hydroxyquinoline aluminum(Alq₃) /Al.The influence of Eu(TTA)(2NH₂-phen)₃ doping concentration on electroluminescence spectroscopy was studied. It was found that the EL spectra do not change with the doping concentration. The spectral overlapping of the emission spectrum of PVK and the absorption spectrum of Eu(TTA)(2NH₂-phen)₃ is very small. From the above experimental results, it can be demonstrated that the mainly mechanism of Eu(TTA)(2NH₂-phen)₃ EL is charge carrier directly trapped by ligand.
		2009 Vol. 29 (12): 3228-3231 [Abstract] ( 1681 ) PDF (1038 KB) ( 372 )

	3232	Studies on a New Type Structure OELD with Interinserting Interface
		ZHANG Zhi-qiang¹, HAO Yu-ying^1*, MENG Wei-xin¹, FAN Wen-hao¹, WANG Hua², XU Bing-she²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3232-04
		A new type organic electroluminescent device with interinserting interface was fabricated. The basic structure of the device is ITO/NPB/Alq₃/Al. By tailor-made template, the two interinserting interfaces were fabricated with NPB/Alq₃ and Alq₃/Al, respectively. The charge distribution on the interface and the electric field distribution in the organic layer were changed by introducing interinserting interfaces, thus the electron injection was improved, and the balance of the number of the electrons and holes at the interface was obtained. Therefore, the formation probability of exciton was enhanced and the leakage current was reduced. Compared to the traditional two-layer structure devices, the interinserting structure device has lower turn-on voltage and higher luminous efficiency. The driving-voltage of the interinserting structure OELD decreased while the brightness increased with the increase in the number of the interinsertion. As the current density increased, all the devices with interinserting interface showed high optical-electrical stability. The turn-on voltage of the device e is 3 V, and was made using the three slots template. At the current density of 54 mA·cm^-2, the device e gets its maximum efficiency, which is 34% higher than the traditional structure device a.
		2009 Vol. 29 (12): 3232-3235 [Abstract] ( 1686 ) PDF (1009 KB) ( 337 )

	3236	Research on Overall Assessment of Royal Jelly Freshness by FTIR Spectroscopy
		WU Li-ming^{1, 2}, ZHOU Qun³, ZHAO Jing¹, SUN Su-qin^3*, HU Fu-liang²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3236-05
		Fourier transform infrared spectra (FTIR) of royal jelly (RJ) stored at different temperature and after different storage periods were measured，a series of correlation analysis among the spectra were carried out by using the spectra of new-harvested RJ as a standard. The results showed that the correlation coefficient of amide band Ⅰ and the relative intensity ratios of I_{1 647}/I_{1 541}, I_{1 647}/I_{1 409}, I_{1 647}/I_{1 247} and I_{1 647}/I_{1 054} of RJ samples’ spectra decreased with extension of storage time and temperature, and existed good linear correlations with the storage time, with the order of their change extent being 28 ℃＞16 ℃＞4 ℃＞-18 ℃. According to the spectra change laws and practical experiences of RJ storage, the correlation coefficient of amide band Ⅰ and four relative intensity ratios I_{1 647}/I_{1 541}, I_{1 647}/I_{1 409}, I_{1 647}/I_{1 247} and I_{1 647}/I_{1 054} were selected as assessment indexes of RJ freshness. The threshold value of correlation coefficient was set to be 0.910 0, and the threshold values of the four relative intensity ratios were set to be 1.744, 2.430, 3.345 and 1.412 respectively. Once one or more indexes are lower than the corresponding threshold values, the RJ sample can be considered as a stale sample. So, FTIR spectroscopy combined with several data-processing methods would be an effective method for overall assessing the freshness of RJ.
		2009 Vol. 29 (12): 3236-3240 [Abstract] ( 2158 ) PDF (673 KB) ( 328 )

	3241	Investigation on Fourier Transform Infrared Spectrum of Freshly Resected Cholangiocarcinoma Tissue
		YIN Gang¹,XU Zhi¹,XU Yi-zhuang²,SUN Qi-gang¹,LIU Ya-qi¹,ZHANG Yuan-fu²,WU Jin-guang²,ZHOU Xiao-si¹,LING Xiao-feng^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3241-05
		To explore the feasibility of quick intraoperative in situ and noninvasive diagnosis of cholangiocarcinoma by Fourier transform infrared (FTIR) spectroscopy, 26 samples of freshly resected cholangiocarcinoma tissues and 43 samples of benign bile duct tissue were collected during surgery. And all fresh samples were measured by FTIR spectroscopy via probe of attenuated total reflection (ATR) without pretreatment immediately after resection. For each spectrum, 12 bands were identified and assigned between 3 800 and 1 000 cm-1. The peak position was found, and the intensity and area of the bands were measured; The ratios of the intensity and area were calculated. Standard statistic analysis was performed. The results illustrated that the FTIR spectra of malignant tissue were significantly different from those of benign tissue: 1. The bands related to lipid: The peak of 2 925 cm^-1 shifted to lower wave number significantly (P=0.033); 2. The bands related to nucleic acid and lipids: the ratios of I_{1 083}/I_{1 460}(P=0.005), S_{1 083}/S_{1 460}(P=0.001) and S_{1 240}/S_{1 460}(P=0.025) raised significantly, indicating that the relative quantity of nucleic acid to lipids had evidently increased in malignancy. 3. The bands related to protein: The ratios of I_{1 550}/I_{1 083}(P=0.000)and S_{1 550}/S_{1 083}(P=0.000)reduced significantly, implying that the relative quantity of protein to nucleic acid in malignancy decreased significantly and the secondary structure of protein changed probably. Our primary result illustrated that the FTIR spectroscopy technique maybe a promising method for in situ and quick intraoperative diagnosis of cholangiocarcinoma and has great value for clinical application.
		2009 Vol. 29 (12): 3241-3245 [Abstract] ( 1663 ) PDF (648 KB) ( 330 )

	3246	Application of Wavelet Threshold Denoising Model to Infrared Spectral Signal Processing
		WU Gui-fang^{1, 2}, HE Yong^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3246-04
		Aimed at noise interference of infrared spectra, an example of using infrared spectra to detect fat content value on the surface of cashmere was applied to evaluate the effect of wavelet threshold denoising. The denoising capabilities of three wavelet threshold denoising models (penalty threshold denoising model, Brige-Massart threshold denoising model and default threshold denoising model) were compared and analyzed. Denoised spectra and measured cashmere fat content values were used for calibration and validation with multivariate analysis (partial least squares combined with support vector machine). The authors analyzed and evaluated denoising effects of these three wavelet threshold denoising models by comparing parameters (R², RMSEC and RMSEP) obtained through calibration and validation of denoised spectra with these three wavelet threshold denoising models respectively. The results show that the three wavelet threshold denoising models all can denoise the infrared spectral signal, increase signal to noise ratio and improve precision of prediction model to some extent; Among these three wavelet threshold denoising models, the denoising effect of Brige-Massart threshold denoising model and default threshold denoising model were significantly better than that of default threshold denoising model; Compared with the prediction precision(R²=0.793，RMSEC=0.233，RMSEP=0.225)of multivariate analysis model established with original spectra, the prediction precision(R²=0.882，RMSEC=0.144，RMSEP=0.136)of multivariate analysis model established with spectra denoised by Brige-Massart threshold denoising model and the prediction precision(R²=0.876，RMSEC=0.151，RMSEP=0.142)both had much more improvements. All the above illustrates that wavelet threshold denoising models can denoise infrared spectral signal effectively, make multivariate analysis model of spectral data and measured cashmere fat values more representative and robust, and so it can improve detection precision of infrared spectral technique.
		2009 Vol. 29 (12): 3246-3249 [Abstract] ( 481 ) PDF (827 KB) ( 372 )

	3250	Near-Infrared Reflectance Spectroscopy Analytic Models Established for the Crude Protein and Crude Fiber of Alfalfa Property
		SHANG Chen¹, ZHANG Yue-xue^2*, LI Yan², HAO Ruo-chao², TANG Feng-lan², HAN Wei-bo², LIU Jie-lin²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3250-04
		Near-infrared reflectance spectroscopy (NIRS) calibrations of crude protein and crude fiber in 152 alfalfa samples were developed by means of partial least-squares (PLS) regression. Different interval wavelengths of 1, 2 and 5 nm and two kinds of samples (crude and fine) were set to collect spectral data and establish calibration respectively. The accuracy and repeatability of calibrations were verified so as to compare superiority and inferiority. Results showed that the best validation result is the calibration by 2 nm interval wavelength and fine sample, and the correlation coefficients of calibration (R²) were 0.97 and 0.94 for crude protein and crude fiber, and the SECV of these parameters were 0.42 and 0.78 respectively. The coefficients of determination for validation (R²_val) were 0.96 and 0.92, and the SEP of these parameters were 0.43 and 0.79. The experiment showed that it is feasible to evaluate the major quality traits of alfalfa by NIRS. All together, it provided a new model to verify the crude protein and fiber compositions of alfalfa.
		2009 Vol. 29 (12): 3250-3253 [Abstract] ( 1893 ) PDF (2964 KB) ( 393 )

	3254	Study on Assessment of Effects of Mannitol on Treatment of TBE Based on Measurement of Mini-Invasive Optical Parameter (μ′_s)
		XIE Jie-ru¹, QIAN Zhi-yu^1*, HE Liang², YANG Tian-ming²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3254-05
		Near infrared spectroscopy (NIRs) technology was utilized for assessing effects in treating traumatic brain edema (TBE). Firstly, models for rats with traumatic brain edema were copied according to Feeney’s apparatus. Then rats were given mannitol with different dosages (large and little) according to their groups. Simultaneously rat’s brain tissues were monitored in vivo and real-time by NIRs mini-invasive detector developed by the authors’ laboratory. And the water content of the brain tissues was measured by the wet and dry weight method at 1, 6, 24, 72 and 120 h after the injury and the treatment. Then, effects in treating TBE with different dosages were assessed by analyzing reduced scattering coefficient (μ′_s) data measured by NIRs and brain water content (BWC)before and after injecting dehydration. Finally, the authors found that reduced scattering coefficient (μ′_s) of rat’s local cortex is a good indicator of assessing effects of treatment of TBE and that may be a preferable approach to assessing effects in vivo and real-time in treatment of brain injury.
		2009 Vol. 29 (12): 3254-3258 [Abstract] ( 1811 ) PDF (891 KB) ( 371 )

	3259	Prediction of Water Holding Capacity of Fresh Pork Using Near Infrared Spectroscopy
		HU Yao-hua¹, GUO Kang-quan^1*, Noguchi Gou², Kawano Sumio³, Satake Takaaki⁴
		DOI: 10.3964/j.issn.1000-0593(2009)12-3259-04
		Water holding capacity (WHC) is an important quality characteristic of fresh pork. It is necessary to determinate it by a rapid and nondestructive method in order to reduce the loss of meat. Near infrared spectroscopy as a new method was proposed for rapid and nondestructive measurement of WHC of vacuum-packed pork loin. Two reference methods for measuring water holding capacity were used to evaluate the water holding capacity, i.e. drip loss and press method. The acquired raw spectra were pretreated by Savisky-Golay smoothing and second derivative, respectively. A total of 106 samples were used in the experiment. The samples were divided into calibration set and validation set. The calibration set was used to set up calibration model and then the model was adopted to predict the samples of validation set. The partial least square regression (PLSR) was used to build calibration model. The results show that the correlation coefficient for drip loss and press method is 0.74-0.79. It shows that evaluating the water holding capacity of vacuum-packed fresh pork loin using near infrared spectroscopy in diffuse reflection mode is better than those results with reflectance or transmission.
		2009 Vol. 29 (12): 3259-3262 [Abstract] ( 496 ) PDF (576 KB) ( 414 )

	3263	*FTIR Spectra-Principal Component Analysis of Erigeron breviscapus* and Erigeron multiradiatus from Different Areas**
		ZHANG Zhi-feng^1*,LIU Yuan¹, ZHANG Hao²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3263-04
		Erigeron breviscapus and erigeron multiradiatus, belonging to compositae, have been widely used as “meiduoluomi”in traditional Tibetan medicine for treatment of heat-clearing and detoxicating.However, it is difficult to distinguish them because of similarity of morphology. Therefore, the chemotaxonomy method was established. FTIR fingerprint spectra of E. breviscapus and E. multiradiatus samples from 13 geographical origins were studied. The results demonstrated that they could be divided into 2 classes with principal component analysis(PCA).The classification was well correlated to their gene, geographical origins and weather.In the same class，the chemical components are similar to each other，which can be considered as the criterion for evaluating their quality.The results showed that their infrared spectra characteristic of the same species was similar in the range of 4 000-450 cm^-1, but varied significantly for different species. The method is rapid and simple，and could be applied to evaluate the quality of this traditional medicine.
		2009 Vol. 29 (12): 3263-3266 [Abstract] ( 1202 ) PDF (1002 KB) ( 359 )

	3267	Study on the Effect of C-Terminal Acidic Protein on the Prokaryotic Expression of α-Thionin by FTIR Microspectroscopy
		LIU Yan¹, FENG Juan^1, TAO Dong-liang³, WENG Shi-fu³, REN Zheng-long^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2009)12-3267-04
		Fourier transform infrared (FTIR) microspectroscopy was used to investigate the effects of C-terminal acidic protein on the secondary structure of wheat α-thionin in the absence of signal peptide during the prokaryotic expression process. SDS-PAGE analysis revealed that the presence of acidic protein gave rise to the formation of inclusion body, however, the absence of acidic protein greatly enhanced the solubility of the heterogenous protein expressed in E.coli BL21(DE3) with the induction of 1 mmol·L^-1 IPTG at 37 ℃. Difference spectra in amide I region were obtained by subtraction between the spectra of intact cells containing S and Sc, which corresponds to the absence and presence of C-terminal acidic proteins, respectively. The second derivative of the difference spectra measured 2 h after induction showed one principal component at ～1 630 cm^-1, while no significant peak appeared at the same peak position when the spectra before induction were compared. Combined with SDS-PAGE of recombinant protein, the authors presumed that the peak absorption at ～1 630 cm^-1 is most likey to be assigned to protein aggregate within inclusion body. Gaussian curve-fitting was done on the Fourier self-deconvolution spectra within amide I region of intact cells containing S and Sc. The experimental data revealed that the relative content of aggregate absorption at (1 629±1) cm^-1 gradually increased with induction time, which is consistent with the results of SDS-PAGE. Simutaneously, the formation of aggregate gave rise to the increase of α-helix, as well as the decrease of β-turn and random coil in the case of Sc. It was not the case for S, however, where random coil experienced the increase in the relative average fractions, while β-turn and β-sheet at (1 629±1) cm^-1 behaved in different ways. The above mentioned phenomenon indicated that β-sheet and random coil are most likely to transform into aggregate and α-helix with the introduction of C-terminal acidic protein.
		2009 Vol. 29 (12): 3267-3270 [Abstract] ( 2345 ) PDF (1144 KB) ( 361 )

	3271	The Measurement of Water Vapor Isotope Based on Mid-Infrared Difference Frequency Generation
		WANG Zhu-qing^{1, 2}, WANG Huan^{1, 2}, CAO Zhen-song¹, YUAN Yi-qian¹, ZHANG Wei-jun², GONG Zhi-ben¹, GAO Xiao-ming^{1, 2*}
		DOI: 10.3964/j.issn.1000-0593(2009)12-3271-04
		Stable-isotope ratio analysis of water is an important tool for geology, meteorology, and earth sciences. Measurements of water vapor isotopes are very helpful to explaining stratospheric aridity and related issues in atmospheric sciences. The absorption of water vapor near 2.7 μm is very strong so it is suitable for measuring high sensitivity spectra. Based on difference frequency generation and quasi-phase matching, by mixing an Nd∶YAG laser with Ti∶Sapphire tunable from 750 to 840 nm in a 50 mm long periodically poled lithium niobate (PPLN) crystal, a widely tunable CW laser source was generated for the mid-infrared spectral range from 2.5 to 4 μm. We chose Λ=20 μm for PPLN crystal, the generated laser was around 2.7 μm. This laser is widely tunable and of inherent narrow linewidth based on difference-frequency generation. Using this idler laser and 100 m multi-pass cell, and direct absorption the water vapor isotopes were measured in the laboratory air. The authors measured isotopes ratios and δ¹⁷O, δ¹⁸O and δD. The values were found to be in excellent agreement with the standard value for three individual lines.
		2009 Vol. 29 (12): 3271-3274 [Abstract] ( 714 ) PDF (946 KB) ( 368 )

	3275	Chlorophyll Content Nondestructive Measurement Method Based on Vis/NIR Spectroscopy
		LI Qing-bo¹, HUANG Yan-wen¹, ZHANG Guang-jun^1*, ZHANG Qian-xuan1, LI Xiang¹, WU Jin-guang²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3275-04
		In the present paper a method based on Vis/NIR spectral analysis technology was applied to the nondestructive measurement of plant chlorophyll content. Firstly, the Vis/NIR spectra in the wavelength range from 500 to 900 nm of the plant leaves were acquired from 35 samples by transmittance and reflectance method, and then three different mathematical treatments were used in original spectra data pretreatment to decrease the noise: moving average smoothing with the segment size 5, first Savitzky-Golay derivative, and wavelet transform (WT) way. Secondly, a total of 35 samples were examined in the test, in which 23 samples were selected randomly for model building and the other 12 for model prediction, then partial least squares (PLS) method was used to develop the quantitative analysis model for chlorophyll content with absorbance spectroscopy, and 7 principal components (PCs) were selected. Finally, this model was used to predict the chlorophyll content of 12 unknown leaf samples in prediction collection. The experiment result indicated that the better prediction performance was achieved with the correlation coefficient between the prediction values and the truth values being 0.93, and the root mean squared error of prediction is about 1.1 SPAD. It could be concluded that it is feasible to measure plant chlorophyll content based on visible/near infrared (Vis/NIR) spectroscopy. And it is also significant in realizing rapid and nondestructive measurement of chlorophyll content in the future.
		2009 Vol. 29 (12): 3275-3278 [Abstract] ( 1825 ) PDF (709 KB) ( 449 )

	3279	Continuum Based Fast Fourier Transform Processing of Infrared Spectrum
		LIU Qing-jie^1,2,LIN Qi-zhong²,WANG Qin-jun², LI Hui^1,2, LI Shuai^1,2
		DOI: 10.3964/j.issn.1000-0593(2009)12-3279-04
		To recognize ground objects with infrared spectrum, high frequency noise removing is one of the most important phases in spectrum feature analysis and extraction. A new method for infrared spectrum preprocessing was given combining spectrum continuum processing and Fast Fourier Transform (CFFT). Continuum was firstly removed from the noise polluted infrared spectrum to standardize hyper-spectra. Then the spectrum was transformed into frequency domain (FD) with fast Fourier transform (FFT)，separating noise information from target information. After noise eliminating from useful information with a low-pass filter, the filtered FD spectrum was transformed into time domain (TD) with fast Fourier inverse transform. Finally the continuum was recovered to the spectrum, and the filtered infrared spectrum was achieved. Experiment was performed for chlorite spectrum in USGS polluted with two kinds of simulated white noise to validate the filtering ability of CFFT by contrast with cubic function of five point (CFFP) in time domain and traditional FFT in frequency domain. A circle of CFFP has limited filtering effect, so it should work much with more circles and consume more time to achieve better filtering result. As for conventional FFT, Gibbs phenomenon has great effect on preprocessing result at edge bands because of special character of rock or mineral spectra, while works well at middle bands. Mean squared error of CFFT is 0.000 012 336 with cut-off frequency of 150, while that of FFT and CFFP is 0.000 061 074 with cut-off frequency of 150 and 0.000 022 963 with 150 working circles respectively. Besides the filtering result of CFFT can be improved by adjusting the filter cut-off frequency, and has little effect on working time. The CFFT method overcomes the Gibbs problem of FFT in spectrum filtering, and can be more convenient, dependable, and effective than traditional TD filter methods.
		2009 Vol. 29 (12): 3279-3282 [Abstract] ( 870 ) PDF (903 KB) ( 434 )

	3283	Discriminating and Quantifying Potential Adulteration in Virgin Olive Oil by Near Infrared Spectroscopy with BP-ANN and PLS
		WENG Xin-xin¹,LU Feng¹,WANG Chuan-xian²,QI Yun-peng^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3283-05
		In the present paper, the use of near infrared spectroscopy (NIR) as a rapid and cost-effective classification and quantification techniques for the authentication of virgin olive oil were preliminarily investigated. NIR spectra in the range of 12 000-3 700 cm^-1 were recorded for pure virgin olive oil and virgin olive oil samples adulterated with varying concentrations of sesame oil, soybean oil and sunflower oil (5%-50% adulterations in the weight of virgin olive oil). The spectral range from 12 000 to 5 390 cm^-1 was adopted to set up an analysis model. In order to handle these data efficiently，after pretreatment, firstly，principal component analysis (PCA) was used to compress thousands of spectral data into several variables and to describe the body of the spectra，and the analysis suggested that the cumulate reliabilities of the first six components was more than 99.999%. Then ANN-BP was chosen as further research method. The six components were secondly applied as ANN-BP inputs. The experiment took a total of 100 samples as original model examples and left 52 samples as unknown samples to predict. Finally, the results showed that the 52 test samples were discriminated accurately. And the calibration models of quantitative analysis were built using partial-least-square (PLS). The R values for PLS model are 98.77, 99.37 and 99.44 for sesame oil, soybean oil and sunflower oil respectively, the root mean standard errors of cross validation (RMSECV) are 1.3, 1.1 and 1.04 respectively. Overall, the near infrared spectroscopic method in the present paper played a good role in the discrimination and quantification, and offered a new approach to the rapid discrimination of pure and adulterated virgin olive oil.
		2009 Vol. 29 (12): 3283-3287 [Abstract] ( 1246 ) PDF (883 KB) ( 395 )

	3288	Qualitative Analysis of Fragrant Pear Class Based on Near Infrared Diffuse Reflectance Spectroscopy
		MA Ben-xue^{1, 2}, RAO Xiu-qin^1*, YING Yi-bin¹，SHEN Fei¹, FAN Yu-xia¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3288-03
		A method was developed to automatically discriminate the persistent calyx fruit and fruit without calyx of fragrant pear by means of near infrared spectroscopy (NIRS). The prediction performance of different band regions range, different principal component numbers and different preprocessing methods of the spectra (multiplicative signal correction, standard normal variate, and derivative spectra) together with discriminant analysis (DA) was also investigated, and The calibration model was established to classify the different kinds of fragrant pear. The research results for the fragrant pear classification showed that DA calibration models using these parameters with band regions between 9 091 and 4 000 cm^-1 and original spectra are optimal, with the percentage of correct sample classification being 100% and 95% for the calibration and validation set，respectively.
		2009 Vol. 29 (12): 3288-3290 [Abstract] ( 1161 ) PDF (527 KB) ( 389 )

	3291	Possibilities of Near-Infrared Spectroscopy for the Assessment of Principle Components in Honey
		TU Zhen-hua¹, JI Bao-ping¹, MENG Chao-ying², ZHU Da-zhou³, WANG Lin-ge¹, QING Zhao-shen^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3291-04
		The potential of near infrared spectroscopy (NIR) as a nondestructive method for determining the principle components of honeys was studied for 153 unifloral honeys and multifloralh honey samples. Fourier transform near-infrared spectroscopy (FT-NIR), CCD near-infrared spectroscopy and PDA near-infrared spectroscopy were evaluated to quantitatively determine water content, fructose content and glucose content in honey. On the basis of partial-least square (PLS) regression, the models of honey were compared. The best calibration model gives the correlation coefficients of 0.978 5, 0.931 1 and 0.890 7 for water, fructose and glucose, respectively, with the root mean square error of prediction (RMSEP) of 0.410 8(%), 1.914 48(%) and 2.531 9(%) respectively. The results demonstrated that near-infrared spectrometry is a valuable, rapid and nondestructive tool for the quantitative analysis of the principle components in honey.
		2009 Vol. 29 (12): 3291-3294 [Abstract] ( 524 ) PDF (890 KB) ( 393 )

	3295	Study on Disease Level Classification of Rice Panicle Blast Based on Visible and Near Infrared Spectroscopy
		WU Di¹, CAO Fang¹, ZHANG Hao², SUN Guang-ming¹, FENG Lei^1, HE Yong^1
		DOI: 10.3964/j.issn.1000-0593(2009)12-3295-05
		Visible and near infrared (Vis-NIR) spectroscopy was used to fast and non-destructively classify the disease levels of rice panicle blast. Reflectance spectra between 325 and 1 075 nm were measured. Kennard-Stone algorithm was operated to separate samples into calibration and prediction sets. Different spectral pretreatment methods, including standard normal variate (SNV) and multiplicative scatter correction (MSC), were used for the spectral pretreatment before further spectral analysis. A hybrid wavelength variable selection method which is combined with uninformative variable elimination (UVE) and successive projections algorithm (SPA) was operated to select effective wavelength variables from original spectra, SNV pretreated spectra and MSC pretreated spectra, respectively. UVE was firstly operated to remove uninformative wavelength variables from the full-spectrum. Then SPA selected the effective wavelength variables with less colinearity after UVE. Least square-support vector machine (LS-SVM) was used as the calibration method for the spectral analysis in this study. The selected effective wavelengths were set as input variables of LS-SVM model. The LS-SVM model established based on SNV-UVE-SPA obtained the best results. Only six effective wavelengths (459, 546, 569, 590, 775 and 981 nm) were selected from the full-spectrum which has 600 wavelength variables by UVE-SPA, and their LS-SVM model’s performance was further improved. For SNV-UVE-SPA-LS-SVM model, coefficient of determination for prediction set (R²_p), root mean square error for prediction (RMSEP) and residual predictive deviation (RPD) were 0.979, 0.507 and 6.580, respectively. The overall results indicate that Vis-NIR spectroscopy is a feasible way to classify disease levels of rice panicle blast fast and non-destructively. UVE-SPA is an efficient variable selection method for the spectral analysis, and their selected effective wavelengths can represent the useful information of the full-spectrum and have higher signal/noise ratio and less colinearity.
		2009 Vol. 29 (12): 3295-3299 [Abstract] ( 1929 ) PDF (884 KB) ( 422 )

	3300	Studies of Surface-Enhanced Raman Spectroscopy on Bare Ti Electrode
		QIN Wei, YAO Jian-lin^, GU Ren-ao^
		DOI: 10.3964/j.issn.1000-0593(2009)12-3300-04
		Various roughening methods for the bare Ti electrode such as mechanical roughening, electrochemical oxidation-reduction method and chemical etching were tried to obtain surface-enhanced Raman spectra (SERS) successfully for the first time. The results of the experiments proved that mechanical roughening and electrochemical oxidation-reduction method could be successfully employed in roughening titanium electrode, however, surfaces roughened in such ways showed no SERS-activity in Raman detection. Finally, chemical etching with hydrofluoric acid was proved to be an effective way to get SERS-active titanium surface, and surface-enhanced Raman spectra of pyridine adsorbed on a titanium surface was observed for the first time. In order to get the most effective titanium surface, roughening conditions, including concentration of the acid, the time of etching and the external potential, were investigated. As illustrated, Raman activity varies with conditions changing in roughening processes and the most reasonable condition for roughening was indicated. The result showed that at the concentration of hydrofluoric acid 0.33% (Wt) and 5 min for etching, the most SERS-active rough titanium surface could be obtained. In addition, with an external potential to speed up corrosion, the surface of titanium electrode tended to form a thin film of oxide, which prevented further corrosion and caused SERS-activity decrease. Thus, in this paper, the surface-enhanced Raman spectra of pyridine (pyridine 0.01 mol·L^-1, and electrolyte KCl 0.1 mol·L^-1) adsorbed on bare roughed Ti electrode were observed at open circuit potential. Referring to the calculations of enhancement factor of pyridine on electrode, the enhancement factor is about 102 on the roughened titanium electrode.
		2009 Vol. 29 (12): 3300-3303 [Abstract] ( 1192 ) PDF (821 KB) ( 359 )

	3304	Raman and PL Spectra Studies of Natural and HPHT Synthetic Diamonds
		YANG Zhi-jun, LI Hong-zhong, ZHOU Yong-zhang, WANG Xiao-yue, LUO Feng
		DOI: 10.3964/j.issn.1000-0593(2009)12-3304-05
		Investigations of crystal habit, quality and defects analysis of natural diamond and HPHT synthetic diamonds from Fe-C(H) and Ni-C system by Raman and PL spectra indicate that most of the diamonds from Fe-C(H) system have an octahedral habit which is the main habit in natural diamond, while most of the diamonds from Ni-C system have a hexakisoctahedral habit. Because there are more photoluminescence centers in synthetic diamond from Ni-C system than that from Fe-C(H) system, and in synthetic diamond than in natural diamond, the quality of natural diamond is best though it forms in more polygenic environment, which suggested that during the process of diamond formation clearing “impurity” must occur. Therefore, the authors believe that not only the substance system variance but also time and space conditions for diamond formation should be considered when the authors try to probe into the relations of formation process between natural and HPHT synthetic diamonds.
		2009 Vol. 29 (12): 3304-3308 [Abstract] ( 1238 ) PDF (1299 KB) ( 413 )

	3309	Raman Spectra Analysis of Bromine Doped Hydrogenated Amorphous Carbon (a-C∶Br∶H) Films Deposited by RF-PECVD
		FENG Jian-hong^{1, 2},LU Tie-cheng^{1, 3}, WU Wei-dong^1*, JIA Peng²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3309-03
		Bromine doped hydrogenated amorphous carbon (a-C∶Br∶H) thin films were deposited on silicon wafers by rf.-plasma enhanced chemical vapor deposition (RF-PECVD) with a frequency of 13.56 MHz at room temperature using pure bromoethane as a precursor of carbon source mixed with hydrogen (H₂) as a carrier gas. The structures of the films prepared by partial pressure of mixed gas (C₂H₅Br/H₂) were studied by Raman spectroscopy. The results indicate that the intensity of the Raman D peak is stronger, the Raman G peak positions shift up a little, and the value of I_D/I_G increases from 1.18 to 1.36, if the gas pressure of mixed C₂H₅Br/H₂ is reduced gradually from 20 to 5 Pa. Meanwhile, the growth of thin film turns gradually into low energy mode promoting the transform of sp²-C from chains to rings.
		2009 Vol. 29 (12): 3309-3311 [Abstract] ( 1163 ) PDF (473 KB) ( 350 )

	3312	Research on Raman Spectra of Benzoic Acid during Decarboxylic Process
		WANG Shi-xia, ZHENG Hai-fei^*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3312-03
		The present research studied benzoic acid change in water and its Raman spectra in temperature rising period using hydrothermal diamond anvil cell and Raman spectrum technique. The hydrothermal diamond anvil cell is the most useful instrument to observe sample in-situation under high temperature and high pressure. The authors can get effective results from this instrument and pursue further research. The method of Raman spectra is the most useful measure tool and it can detect the material according to the spectrum. The result showed that there was no change in characteristic vibrational Raman peak of benzoic acid in the lower temperature period and there was no reaction between benzoic acid and water. In the process of temperature rising period, the characteristic vibrational Raman peak of benzoic acid became weaker. During the process, benzoic acid began to dissolve in water, but no chemical reaction happened. The reason for weaker Raman peak of benzoic acid is the dissolution. The characteristic vibrational Raman peak of carboxyl disappeared at 150 ℃, which showed that decarboxylic reaction occurred on benzoic acid. But the main Raman peak of benzoic acid existed which showed that no chemical reaction existed. And then benzoic acid disappeared when temperature ascended to 170 ℃. When the temperature of system dropped to room temperature, a kind of crystal appeared. The characteristic vibrational Raman peak of this kind of crystal showed that the crystal contained benzene ring, showing that dutrex appeared. At the same time the authors did not find the characteristic vibrational Raman peak of carboxyl, so the crystal was not benzoic acid. The whole research showed that: dutrex can disappear and be regained in the process of dissolution and recrystallization, but carboxyl cannot.
		2009 Vol. 29 (12): 3312-3314 [Abstract] ( 1769 ) PDF (726 KB) ( 379 )

	3315	Confocal Raman Study on ZnSO₄ Droplets in the Efflorescence Process
		XIAO Han-shuang, WANG Liang-yu, ZHANG Yun-hong^*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3315-04
		Confocal Raman technique was used to investigate the structure changes of the ZnSO₄ droplets deposited on Teflon substrate in the efflorescence process at the molecular level. Upon decreasing the relative humidity (RH), the symmetric stretching band (ν₁-SO^2-₄) of ZnSO4 droplet blue shifted from 981 cm^-1 gradually to 987, 998 and 1 008 cm-1, respectively, indicating that the free SO^2-₄ ion associates with Zn²⁺ ion as the solution concentration increases and forms various contact ion pairs (CIPs), i.e., monodentate, bidentate and complicated multidentate chain-structured or web-structured CIPs. Accordingly, two obvious transition points were also observed in the hygroscopic curve of ZnSO₄ droplet, implying the structure transformations in the droplet. In order to obtain the information about the contents and evolutions of various components in the droplets, curve fitting technique was used to extract the components at positions of 981, 987, 998 and 1 008 cm^-1 in the spectral range of 945-1 065 cm^-1 representing the free SO^2-₄ ion, monodentate, bidentate and complicated CIPs, respectively. The results indicated that the main component in droplets was free hydrated SO^2-₄ ion at high RHs. With decreasing the RH, monodentate and bidentate CIPs were formed by Zn²⁺ and SO^2-₄ and achieved their highest contents at RHs of 66% to 34%, respectively. Further decreasing the RH, the monodentate and bidentate CIPs gradually changed into multidentate chain-structured CIPs or complicated CIPs webs, which became the main components in supersaturated ZnSO₄ droplets as the RH decreased below 34%.
		2009 Vol. 29 (12): 3315-3318 [Abstract] ( 688 ) PDF (1212 KB) ( 367 )

	3319	Multi-Spectroscopy Applied to Study Blue Gel Pen Inks
		ZHANG Xu-dong¹, HUANG Ling-xiong¹, LIN Xiang², PENG Qi¹, CHEN Rui-ping^1*, ZHANG Chao-he², HUANG Zi-xiang¹, LIN Xuan¹, DU Shao-wu¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3319-04
		Multi-spectroscopy, such as FTIR, dispersive Raman spectroscopy and UV-Vis, was applied to characterize the blue gel pen inks on paper at the time in the present study. Twenty eight collected blue gel pens with different brands and serials were separated into four different classes by different absorptions or Raman shift. Composition changing of blue gel pen inks on paper during artificial ageing was studied via TD-MS as well. The advantage and disadvantage of this spectroscopy used in analyzing and identifying blue gel pen inks on paper, and the potential application in the research on relative and absolute ageing of documents were discussed.
		2009 Vol. 29 (12): 3319-3322 [Abstract] ( 565 ) PDF (833 KB) ( 384 )

	3323	Quantum Chemistry Study on Fluorescence Spectra of Six Coumarin Dyes
		ZHANG Shu¹, XIE Yong-hong², TAN Ying-xiong¹, CHEN Guo-li¹，LIAO Xian-wei¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3323-04
		A theoretical study on fluorescence spectra of six coumarin dyes is given in the present paper. Their geometric configurations were optimized by semi-empirical method AM1. For all optimal configurations, there is no imaginary frequency in vibrational analysis. On this basis, the electronic spectra were calculated by CIS method. All the calculated results are basically consistent with experimental values.
		2009 Vol. 29 (12): 3323-3326 [Abstract] ( 290 ) PDF (454 KB) ( 411 )

	3327	*Synthesis and Characterization of NaYF₄∶Yb, Er Upconversion Fluorescent Nanoparticles via* a Co-Precipitation Method**
		WANG Meng, MI Cong-cong, WANG Shan, LI Feng, LIU Jin-ling, XU Shu-kun^*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3327-05
		Monodisperse NaYF₄∶Yb, Er upconversion fluorescent nanoparticles were firstly synthesized via a co-precipitation method in the presence of diethylenetriamine pentoacetic acid (DTPA). The nanoparticles were characterized by using of X-ray diffraction (XRD), transmission electron microscope (TEM), fluorescence(FL) spectrum, and thermogravimetry-differential scanning calorimetry (TG-DSC) analysis. The as-prepared nanoparticles were uniform, and their size could be controlled in a range of 20 to 120 nm by varying the amount of DTPA. During the precipitation reaction, DTPA molecules could form a complex with the rare earth ions, and then the rare earth ions were released slowly to react with F^- ions, which slowed down the speed of the reaction. In addition, DTPA molecules could also be capped on surface of the growing nanoparticles, which prevented the nanoparticles from aggregation. After annealing, the nanoparticles were transformed from cubic phase to hexagonal phase, and their upconversion fluorescence intensity was enhanced remarkably. The synthesis conditions including the amount of chelating agents and temperature for annealing, which showed great influence on the size, phase and upconversion fluorescence intensity of the nanoparticles, were also discussed. It was confirmed by XRD and TG-DSC analysis that the presence of DTPA suppressed the cubic-to-hexagonal phase transition of the nanoparticles. However, while the small nanoparticles were obtained with well control, the annealed crystals synthesized by adding DTPA could still emit strong fluorescence under a low exciting power, which could well fulfill the demand for bio-labeling. These nanoparticles are envisioned to find potential applications in biological detections.
		2009 Vol. 29 (12): 3327-3331 [Abstract] ( 1353 ) PDF (1628 KB) ( 418 )

	3332	Synthesis and Fluorescence Property of New La³⁺ Complex
		ZHAO Qing-shan, MAO Ju-lin, ZHOU Hui-liang, HU Qi-lin^*,LIU Wan-yi
		DOI: 10.3964/j.issn.1000-0593(2009)12-3332-03
		The solid complex of lanthanum nitrate hydrate with 4-(p-dimethylaminobenzaldehydeamino)-4H-1,2,4-triazole (L) LaL₃(NO₃)₃·(H₂O)₂·(C₂H₅OH)₂ was synthesized in dry N₂ atmosphere and absolute alcohol. The composition of the complex was determined by chemical and elemental analyses. The crystal structure showed that La³⁺ was coordinated by ten oxygen atoms with three nitrate, two water and two alcohol molecules. Characterized by elemental analysis, infrared spectroscopy, and solid fluorescence, the experimental results showed that the free ligand is a thermally stable material, and emitted intensive blue fluorescence at the peak wavelength of 451 nm. Compared with the fluorescence emission of free ligand in solid-state, the emission of complex of LaL₃(NO₃)₃·(H₂O)₂·(C₂H₅OH)₂ red-shifted to 464 nm and exhibited stronger blue fluorescence.
		2009 Vol. 29 (12): 3332-3334 [Abstract] ( 1770 ) PDF (481 KB) ( 382 )

	3335	Discussion of the Characteristic Indexs in Using Three-Dimensional Fluorescence Method to Identify Different Crude Oils
		ZHAO Yan, ZHANG Shi-yuan, LING Ping, LI Si-yuan, HUANG Kai-sheng, ZHOU Yong-sheng, XIE Yue-liang
		DOI: 10.3964/j.issn.1000-0593(2009)12-3335-04
		The present paper investigates the influence of solvent purity on the test of three-dimensional fluorescence spectra, determines the process of its pre-purification, and studies the influence of the concentrations on the three-dimensional fluorescence characteristic indexes such as the characteristic peaks position, fluorescence intensity (F), and ratio (R) of fluorescence intensity when the phenomena of fluorescence quenching won’t appear. The result shows that the concentration affects the value F and value R largely but its effect on the relative peak intensity (R_Ｓ) is relatively small. Different crude oils has different value R_Ｓ. According to those characteristics, this paper presents that the value R_Ｓ can be used as a new characteristic index for identification of crude oil. This conclusion was confirmed by testing many crude oils stably and reliably from different areas with their concentrations at 5 mg·L^-1. This method can be applied to identify most crude oils preliminary and further accurate analysis can be carried out together with other index.
		2009 Vol. 29 (12): 3335-3338 [Abstract] ( 1180 ) PDF (880 KB) ( 345 )

	3339	Study on Ultraviolet Fluorescence Spectra of Monomers of Distilled Spirits
		YANG Jian-lei¹, ZHU Tuo^2*, XU Yan³, FAN Wen-lai³, CHEN Guo-qing², WU Hao²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3339-05
		In the present paper, the authors measured the fluorescence spectra of water, alcohols and major microcrystalline substances of different distilled spirits and synthesized their three-dimensional fluorescence spectra. By comparing the fluorescence spectra of major monomers with those of many different kinds of distilled spirits, the authors found that ethanol and many other monomers can influence the fluorescence spectra of distilled spirits. Apart from ethanol, the major microcrystalline substances, such as alcohols, acids, aldehydes and esters influence the fluorescence spectra of distilled spirits respectively. In the meanwhile, their influences are different. The influences of different kinds of monomers differ from each other in the respects of wavelength and intensity. The order of the influences from low level to high level is: alcohols, aldehydes, acids and esters. But the same kind of monomers can bring about almost the same fluorescence spectra. So, the same kind of monomers influences the fluorescence spectra of distilled spirits similarly. To sum up, the authors come to a conclusion that apart from water, every kind of monomers can influence the fluorescence spectra of distilled spirits. And the order of the influences from low level to high level is: alcohols, aldehydes, acids and esters. In the meanwhile, they influence the fluorescence spectra in different spectral range respectively. The outcome of the study is very important for the further detailed research on the fluorescence spectra of distilled spirits in the future.
		2009 Vol. 29 (12): 3339-3343 [Abstract] ( 1746 ) PDF (10902 KB) ( 388 )

	3344	Advance in Study on the Effects of Iron on Algal Growth and Spectral Recognition
		CHI Guang-yu^{1, 2}, CHEN Xin^1*, SHI Yi¹, ZHENG Tai-hui^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2009)12-3344-04
		Iron is an essential micronutrient of phytoplankton. Iron plays an important role in many biological processes such as nitrogen assimilation，N₂ fixation, photosynthetic and respiratory electron transport，and porphyrin biosynthesis. Therefore, the regulation effects of iron should be considered besides nitrogen and phosphorus during the treatment of eutrophication lakes process. Remote sensing technology has been recognized as an effective measure in monitoring eutrophicated water bodies which could be used to timely monitor the distribution and growth status of algal on a large scale. The iron concentration fluctuation may have an important influence on the metabolic activity of the algal cells, and the spectral reflectivity could reflect the physiological characteristics of algal. The relationship between land features and their spectral characteristics is important for the interpretation of remote sensing images. Studies of algal spectral propertises under different iron-supply would be meaningful for determining the bloom and developing the remote sensing warning system of lake eutrophication. In the present paper, the effects of iron on the growth of algal and the advances in studies of algal spectrum are summarized based on the iron hypothesis. Furthermore, the application of spectral properties of algal under different iron-supply in early-warning mechanism of lake eutrophication is prospected.
		2009 Vol. 29 (12): 3344-3347 [Abstract] ( 2330 ) PDF (394 KB) ( 391 )

	3348	Hyperspectral Inversion Models on Verticillium Wilt Severity of Cotton Leaf
		JING Xia^{1, 2}, HUANG Wen-jiang¹,WANG Ji-hua^1*, WANG Jin-di², WANG Ke-ru³
		DOI: 10.3964/j.issn.1000-0593(2009)12-3348-05
		The correlation of cotton leaf verticillium wilt severity level with raw hyperspectral reflectance, first derivative hyperspectral reflectance, and hyperspectral characteristic parameters was analyzed. Using linear and nonlinear regression methods, the hyperspectral remote sensing retrieval models of verticillium wilt severity level with remote sensing parameters as independent variables were constructed and validated. The result showed that spectral reflectance increased significantly in visible and short infrared wave band with the increase in the severity level, and this is especially significant in visible band. The raw spectral reflectance has the maximum coefficient of determination at 694 nm (R²=0.461 6) with severity level and the logarithm model constructed with reflectance at this point is the better one as compared to linear model. By the precision evaluation of retrieval models, the linear model with the first derivative reflectance at 717 nm as independent variable was proved to be the best, with R²=0.488 9, RMSE=0.257 1, and relative error=12.74%, for the estimation of verticllium wilt severity level of cotton leaf. The results provide a good basis for further studying monitoring mechanism of cotton verticillium wilt by remote sensing data, and have an important application in acquiring cotton disease information using hyperspectral remote sensing.
		2009 Vol. 29 (12): 3348-3352 [Abstract] ( 726 ) PDF (2795 KB) ( 410 )

	3353	Disease Index Inversion of Wheat Stripe Rust on Different Wheat Varieties with Hyperspectral Remote Sensing
		GUO Jie-bin, HUANG Chong, WANG Hai-guang, SUN Zhen-yu, MA Zhan-hong^*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3353-05
		It is becoming more and more important to use mixed wheat varieties to control wheat stripe rust. Different wheat varieties were planted in field and stripe rust was caused by artificial inoculation. Disease index (DI) was assessed and the canopy reflection data of wheat canopy were obtained by ASD FieldSpec HandHeld FR(325-1 075 nm) made by ASD Company. The correlation analysis between DI and spectral data (reflectance and the first derivative) was conducted, and the estimation models between DI and reflection data (reflectance at 690 and 850 nm, SDr, NDVI and RVI) were built using linear regression method. The results showed that different combinations of wheat varieties had the similar variation at different disease index. DI has positive correlation with reflectance of wheat canopy in visible region, and has significant negative correlation in the near infrared region. DI has stable negative correlation with the first derivative in the region of 700-760 nm and with big fluctuation in other regions. The correlation was compared between DI and hyperspectral derivative index, and SDr has the best correlation with DI. DI estimation models were built based on the canopy reflectance at 690 and 850 nm, SDr, NDVI and RVI. The determinant coefficient of themodels is between 0.588 and 0.855, 0.669 and 0.911, 0.534 and 0.773, and 0.587 and 0.751, respectively, and all the models were fit well. The results indicated that DI of wheat stripe rust could be inverted using hyperspectral remote sensing technique and that the inversion effect was hardly influenced by the different combinations of wheat varieties.
		2009 Vol. 29 (12): 3353-3357 [Abstract] ( 2422 ) PDF (747 KB) ( 385 )

	3358	Study on the Main Influencing Factors of Mixed-Pixel Spectral Characteristics
		YAN Guo-qian, ZHAO Yun-sheng^*, NING Yan-ling, ZHAO Nai-zhuo, ZHONG Gui-xin
		DOI: 10.3964/j.issn.1000-0593(2009)12-3358-04
		Hyperspectral remote sensing can improve the identification and classification of surface features through the spectrum comparing and matching to achieve classification and recognition. Because of the spatial resolution of the sensor as well as the difference in complexity and diversity on the ground, mixed pixels in the image are prevalent in remote sensing. The problem of subpixel unmixing is a prominent issue in the quantitative application of remote sensing. How to effectively interpret the mixed-pixel is one of the key issues in the application of remote sensing. In the present paper, the hyperspectral reflectance characteristics of the mixed-pixels formed with two kinds of materials whose area ratios have always been 1∶1 were studied at different incident zenith angles and different topology location distribution, which provides a theoretical basis for the mixed pixel classification accuracy improvement.
		2009 Vol. 29 (12): 3358-3361 [Abstract] ( 1157 ) PDF (1089 KB) ( 336 )

	3362	Lycopene and β-Carotene Content in Tomato Analyzed by the Second Harmonic
		OUYANG Shun-li^1,2,ZHOU Mi²,CAO Biao²,MEN Zhi-wei2, GAO Shu-qin²,LI Zuo-wei^1,2*,LU Guo-hui²， YANG Jian-ge^2,3
		DOI: 10.3964/j.issn.1000-0593(2009)12-3362-03
		Lycopene and β-carotene are two important nutritional components in tomato. The main Raman spectrum group of lycopene and β-carotene abundant in tomato is identical and difficult to be distinguished through fundamental frequency. With excitation wavelength of 514.5 nm, the excited light was just present in the half width range of the main absorption bands of Lycopene and β-carotene, so the resonance Raman effect can occur. Based on resonance Raman spectra, by on-body measuring the second harmonic of stretching vibration of carbon-carbon conjugated double bond in lycopene and β-carotene, the content of lycopene and β-carotene can be obtained according to the integrated intensity of each component calculated by software. And this provides a method for on-body determining the content of the components with the homologous group.
		2009 Vol. 29 (12): 3362-3364 [Abstract] ( 1285 ) PDF (678 KB) ( 394 )

	3365	Characteristics of Soil Spectral Reflectance and Estimation of Soil Parameters in Fuxin Opencast Coal Mine
		SUN Hong, LI Min-zan^*, ZHAO Yong, LI Xiu-hua，LIANG Jing-xian, CHEN Ling
		DOI: 10.3964/j.issn.1000-0593(2009)12-3365-04
		The surface soil samples of Fuxin opencast coal overburden dumps were collected in the field and the spectral reflectance and characteristic parameters of the soil samples, such as moisture content, pH, electrical conductivity (EC), available potassium (K⁺) content, and soil organic matter content (SOM), were measured. The Analysis results indicated that the curves of the soil spectral reflectance decreased with increasing the laid years. The possible reasons were the influences of soil texture and color. Although the valleys of the spectral reflectance appeared at 1 420, 1 910 and 2 210 nm, they were not conspicuous on the lime soil and mixture soil reflectance curves at 1 420 and 2 210 nm. With discussing the spectral reflectance of different types of soil texture, it’s easy to find that the reflectance of fine grained soil was higher than the rough grained soil. Correlations between soil spectral reflectance and soil parameters were analyzed. The results showed that there was a positive relation between reflectance and pH, and correlation coefficient decreased with the wavelength increasing There was no relationship between spectral reflectance and EC, and negative relations were observed between spectral reflectance and soil parameters, K⁺ and SOM, respectively. A high correlation coefficient was found between spectral reflectance and SOM, and the highest correlation coefficient reached -0.76. The exponential correlation was found between sol spectral reflectance and soil moisture content to analyze all samples. According to different years and textures, more detail was described about the correlation between spectral reflectance of characteristic wavelength (1 910 and 1 943 nm) and soil moisture content. Meanwhile, the linear correlations were found under different conditions and higher correlation coefficients were obtained. In order to estimate SOM, five wavelengths (1 350, 1 602, 1 862, 2 160 and 2 227 nm) were selected based on principal component analysis to build a multiple linear regression model. The multiple correlation coefficient of calibration model (R²_C) was 0.737 4, and the multiple correlation coefficient of validation (R²_V) was 0.682 4. It indicated that the model was able to meet the needs of monitoring SOM in Fuxin opencast coal mine.
		2009 Vol. 29 (12): 3365-3368 [Abstract] ( 1684 ) PDF (750 KB) ( 416 )

	3369	Study on the Interactions of Genistein Esterified Derivatives with Bovine Serum Albumin
		LIU Rong¹,CAO Shu-wen^1,2,YU Yan-ying²,LI Xian-he²,DENG Ze-yuan^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3369-06
		Under the imitated physiological conditions(pH＝7.4), the interactions of two novel genistein esterified derivatives, genistein 7-acetylferulic acid ester and genistein 7, 4’-di-acetylferulic acid ester(1 and 2), with bovine serum albumin (BSA) were investigated by the fluorescence and UV-Vis spectroscopy. It was observed that both of them can effectively quench the intrinsic fluorescence of BSA. The results suggested that the fluorescence quenching process of BSA at low concentrations of the compounds may be mainly governed by static quenching mechanisms. The binding constants (K_A) and the number of binding sites (n) at different temperatures were calculated. From the thermodynamic parameters, it can be judged that the binding of 1 to BSA involved electrostatic interactions, whereas the binding of 2 to BSA involved hydrogen bonds and Van der Waals forces. The binding average distances r between BSA(donor)and the compounds (acceptor) were determined to be 2.63 nm and 2.92 nm respectively based on the Frster theory. Besides, the interactions of BSA with the compounds did not change the conformation of BSA and the binding of compounds to BSA is near tryptophan subunit via synchronous fluorescence spectrometry.
		2009 Vol. 29 (12): 3369-3374 [Abstract] ( 457 ) PDF (1600 KB) ( 398 )

	3375	Simultaneous Quantitative Analysis of Multielements in Al Alloy Samples by Laser-Induced Breakdown Spectroscopy
		SUN Lan-xiang^{1, 2}, YU Hai-bin^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3375-04
		The multielement components of some aluminium alloy samples were quantified by using laser-induced breakdown spectroscopy (LIBS). The Nd∶YAG pulsed laser was used to produce plasma in ambient air. The spectral range of 200-980 nm was simultaneously obtained through a multichannel grating spectrometer and CCD detectors. The authors studied the influences of time delays, energy of the laser, and depth profile of elements in samples on spectral intensity, and optimized the experimental parameters based on the influence analysis. With the optimal experimental parameters, the authors made the calibration curves by four certified aluminum alloy samples for eight elements, Si, Fe, Cu, Mn, Mg, Zn, Sn, and Ni, and quantified the composition of an aluminum sample. The obtained maximum relative standard deviation (RSD) was 5.89%, and relative errors were -20.99%-15%. Experimental results show that LIBS is an effective technique for quantitative analysis of aluminum alloy samples, though the improved accuracy of the quantitative analysis is necessary.
		2009 Vol. 29 (12): 3375-3378 [Abstract] ( 1295 ) PDF (867 KB) ( 394 )

	3379	Fabrications of a Poly(Methyl Methacrylate )(PMMA) Microfluidic Chip-Based DNA Analysis Device
		DU Xiao-guang
		DOI: 10.3964/j.issn.1000-0593(2009)12-3379-04
		A DNA analysis device based on poly(methyl methacrylate) (PMMA) microfluidic chips was developed. A PMMA chip with cross microchannels was fabricated by a simple hot embossing. Microchannels were modified with a static adsorptive coating method using 2% hydroxyethyl cellulose. A high-voltage power unit, variable in the range 0-1 800 V, was used for on-chip DNA sample injection and gel electrophoretic separation. High speed, high resolution DNA analysis was obtained with the home-built PMMA chip in a sieving matrix containing 2% hydroxyethyl cellulose with a blue intercalating dye, TO-PRO-3 (TP3), by using diode laser induced fluorescence detection based on optical fibers with a 670 nm long-pass filter. The DNA analysis device was applied for the separation of φX-174/HaeⅢ DNA digest sample with 11 fragments ranging from 72 to 1 353 bp. A separation efficiency of 1.14×10⁶ plates/m was obtained for the 603 bp fragments, while the R of 271/281 bp fragments was 1.2. The device was characterized by simple design, low cost for fabrication and operation, reusable PMMA chips, and good reproducibility. A portable microfluidic device for DNA analysis can be developed for clinical diagnosis and disease screening.
		2009 Vol. 29 (12): 3379-3382 [Abstract] ( 1301 ) PDF (681 KB) ( 327 )

	3383	Research on Laser Induced Breakdown Spectroscopy for Detection of Trace Cu in Polluted Soil
		ZHENG Ze-ke, MA Xiao-hong, ZHAO Hua-feng^*, YU Le, ZHANG Min, LIAO Yan-biao
		DOI: 10.3964/j.issn.1000-0593(2009)12-3383-05
		In the present work, spatial character of emission spectrum was analyzed, the effect of laser energy and samples attribute on the best detection position for the highest signal-to-noise ratio was studied, and some experimental investigations with LIBS technique to detect trace Cu in polluted soil were carried out in our laboratory. A Q-switched Nd∶YAG laser operating at 1 064 nm with pulse width of 10 ns and repetition frequency of 1 Hz was utilized. The laser pulse was focused by lens with focal length of 10 cm to generate microplasmas on the surface of printed circuit board and soil samples. The sample was adjustable by vernier construction to detect the emission spectrum of the microplasmas from different position. Experiments showed that the intensity of thermal radiation and atomic radiations evolved differently while the detection position changed. It was verified that thermal radiation reduced rapidly with the distance from the center of spark increasing, while the intensity of atomic radiations increased firstly and decreased after intensity maximum was reached. The method of separating thermal radiation and atomic radiations in space brought on high signal-to-noise ratio. It was found that the best detection position was 0.75 mm off the center of the spark for soil sample while the laser energy was 40 mJ, and the distance increased with the growth of laser energy. With Cu 324.75 nm and Cu 327.39 nm as the analysis lines, the best detection position was selected to detect trace Cu pollution in soil. Internal standard method was used to determine the relation between Cu concentration and its intensity. It was concluded that the detection limit of Cu in soil was 67 mg·kg^-1, which is below the trace element thresholds for Class 2 soil defined in the Environmental Quality Standard for Soil in China. It was proven an effective way to achieve higher signal-to-noise ratio by adjusting the location of spectral measurements. This method was viable for trace Cu detection in polluted soil.
		2009 Vol. 29 (12): 3383-3387 [Abstract] ( 1263 ) PDF (1365 KB) ( 352 )

	3388	Determination of Thirty Three Elements in Lung Cancer Tissues of Patients with Lung Cancer by Microwave Digestion-ICP-MS
		ZHANG Lin-lin¹, MA Qian-li², HUANG Yun-chao², WU Guo-ping³, WEI Fu-sheng^3*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3388-04
		A method for determining 33 elements in lung tissues of patients with lung cancer was developed by using vacuum freeze-drying microwave digestion-ICP-MS. The lung tissue samples were treated by vacuum freeze-drying equipment. After microwave digestion in HNO₃-H₂O₂ solution system, the samples were diluted with the method of constant volume. Under the optimized conditions the samples were analyzed by ICP-MS. The double internal standard elements Rh and Re were used to compensate for matrix suppression effect and sensitivity drift. The analytical results showed that the detection limits of the 33 elements were 0.01-0.45 ng·mL^-1. The national standard reference material GBW(E)080193 bovine liver was analyzed by the described method and the measured element values accorded with the standard values or the reference values. The relative standard deviation (RSD) of the method was 2.1%-14.3%. The recovery rates of the studied elements were 90.1%-117.5%. The contents of 33 elements in lung cancer tissues, paracancerous lung tissues and benign lung tissues of 6 patients with lung cancer were determined by the method. It was indicated that the method is rapid, simple and accurate for determining multi-elements in human lung tissue and other biological samples.
		2009 Vol. 29 (12): 3388-3391 [Abstract] ( 1834 ) PDF (400 KB) ( 389 )

	3392	Determination and Comparison of Metal Elements in Huai Radix Rehmanniae at Different Grades by ICP-MS
		WANG Guo-qing¹, WEI Li-fang¹, DONG Chun-hong², FU De-xue², SUN Yu-an¹, HOU Xiao-jie¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3392-03
		The Huai radix rehmanniae at different grades was pretreated by wet digestion, and then the metal elements in the radix rehmanniae and the prepared sample by steaming method were determined using ICP-MS. The results indicate that there is no obvious difference in the metal elements between the different grades and between the dried radix rehmanniae and its corresponding prepared product. There are elements Zn, Cu, Cr, Fe, Mn, Sn, Ni, Mo, Go, etc. in radix rehmanniae, among which the contents of Ca，Fe，Al，Zn and Cu are higher; the metal elements beneficial to human body in dried radix rehmanniae are relative lower than that in the prepared one. The elements such as Co, Ni, Cr, Mn, etc. in radix rehmanniae have poison effects on human body when their contents are more than a certain threshold value, although they are human essential elements. Element Pb is harmful to human body, which should be controlled and reduced/eliminated in the processing procedure. The determination and comparison of the metal elements in radix rehmanniae at different grades can provide useful information about the comprehensive evaluation of dried radix rehmanniae and their prepared products.
		2009 Vol. 29 (12): 3392-3394 [Abstract] ( 710 ) PDF (452 KB) ( 415 )

	3395	*Determination of 8 Trace Elements in Mantle Muscle and Cuttlebone of Sepiella maindroni* by ICP-MS Using Microwave Digestion for Sample Preparation**
		WU Chang-wen^{1, 2}, CHI Chang-feng², HE Guang-yuan¹, XU Mei-ying²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3395-04
		An inductively coupled plasma mass spectrometry (ICP-MS) for determi-nation of the contents of 8 trace elements in mantle muscle and cuttlebone of Sepiella maindroni after microwave digestion of the sample has been developed. Satisfactory linearity of working curves for the 8 elements was obtained, giving all their correlation coefficients over 0.997 3. The precision of measurement ranges from 2.4% to 8.7% in terms of relative standard deviation. The recoveries and the limits of detection are in the range of 96.5%-106.3% and 0.002-0.032 μg·L^-1, respectively. It was indicated that the proposed method had the advantages of simplicity, speediness and sensitivity. The results showed that the mantle muscle and cuttlebone of Sepiella maindroni contained rich trace elements Zn and Cu, but the contents of Cd and As are higher than the limits of Chinese Pharmacopoeia, Green Trade Standard for Importing and Exporting Medicinal Plant and Preparation and U.S. Food and Drug Standard. Furthermore, our study provides new scientific foundation for the quality control, culture, general application, resource utilization and exporting of Sepiella maindroni.
		2009 Vol. 29 (12): 3395-3398 [Abstract] ( 643 ) PDF (466 KB) ( 383 )

	3399	*Study on the Response of Middle and Trace Elements in Humulus Scandens* Leaves to Atmospheric Reactive Nitrogen with ICP-AES**
		HAN Wen-xuan, HUANG Ming-li, TANG Ao-han, SHEN Jian-lin, WANG Si-miao, LIU Xue-jun, ZHANG Fu-suo^*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3399-03
		Based on field measurements, the effects of atmospheric reactive nitrogen (ARN) on the middle/trace element concentrations in the leaves of wild plant humulus scandens were analyzed. Leaves of H. scandens were collected from six sites around Beijing in the North China Plain, and the concentrations of Ca, Mg, S, Fe, Mn, Cu, Zn, B, and Na in the leaves were determined with inductively coupled plasma atomic emission spectrometry (ICP-AES). The results showed that element concentrations in leaves ranked as Ca(41 106)>S(8 370)>Mg(6 628)>Fe(476)>Na(92)>B(78)>Mn(49)>Zn(38)>Cu(15) mg·kg^-1 dry matter; There were no significant difference in any of the individual element in the H. scandens leaves along the gradient of ARN, suggesting that the increasing demand of H. scandens for middle/trace elements, induced by the enhanced nitrogen availability from ARN, was not yet beyond the nutrient-supply limits of the local soils. This study offers reference to scientific assessments of the middle/trace element status in terrestrial herbaceous plants under the global background of increasing nitrogen deposition.
		2009 Vol. 29 (12): 3399-3401 [Abstract] ( 243 ) PDF (529 KB) ( 428 )

	3402	Determination of Five Kinds of Trace Elements in Mongolian Medicines by Microwave Digestion-ICP-AES
		BAI Suo-zhu¹, ZHOU Xiu-qing², JIN Hai-yan³
		DOI: 10.3964/j.issn.1000-0593(2009)12-3402-03
		With the combination of the microwave digestion and ICP-AES, and by optimizing the instrument conditions, the micro digestion-ICP-AES method for the determination of eight metal elements, Zn, Fe, Ca, Mn, K, Mg, Sr and Na, in Mongolian medicines has been established. This method works by determining one solution sample with many kinds of elements at one time. The average recovery of the method is between 92.2% and 113.3% and the RSD is between 0.4% and 3.2%. The accuracy and precision of the method was tested by comparing the values of GBW070602. The determination results were found to be basically consistent with the reference values, which means the test result is reliable.
		2009 Vol. 29 (12): 3402-3404 [Abstract] ( 954 ) PDF (316 KB) ( 415 )

	3405	Direct Determination of Water-Soluble Antimony(Ⅲ) and Antimony(Ⅴ) in Soil by Hydride Generation Atomic Fluorescence Spectrometry
		YU Zhao-shui,ZHANG Qin
		DOI: 10.3964/j.issn.1000-0593(2009)12-3405-04
		A simple, rapid and useful method for the determination of water-soluble antimony(Ⅲ) and antimony(Ⅴ) in soil was established using hydride generation atomic fluorescence spectrometry. The method was based on the different chemical reaction efficiency between Sb(Ⅲ) and Sb(Ⅴ) with KBH₄ in the media of HCl. The amounts of Sb(Ⅲ) and Sb(Ⅴ) can be obtained through measuring antimony fluorescence intensities before and after reduction with reductant. The effects of HCl and KBH₄ on the sensitivities of Sb(Ⅲ) and Sb(Ⅴ) were investigated, and the interferences from coexistent elements were studied. The reduction efficiencies of both reductants were compared. The detection limits of the method were 1.11 ng·g^-1 for Sb(Ⅲ) and 1.57 ng·g^-1 for Sb(Ⅴ). The accuracy of the method was verified by recovery experiments on spiked real soil samples.
		2009 Vol. 29 (12): 3405-3408 [Abstract] ( 1766 ) PDF (646 KB) ( 387 )

	3409	Determination of Palladium in Automobile Exhaust Catalysts by FAAS Method
		WEI Xiao-feng¹, CAI Guo-hui¹, XIAO Yi-hong¹, ZHAN Ying-ying¹, XIE Zeng-hong², WEI Ke-mei^1*
		DOI: 10.3964/j.issn.1000-0593(2009)12-3409-03
		Palladium in automotive exhaust catalyst was determined by flame atomic absorption spectrometry (FAAS). The analytical conditions and the coexisting elements interference were studied. The catalyst was dissolved by the mixture of H₂O₂ and HCl. Pd in the solution was directly determined by FAAS method. The linearity of working curve ranges from 0.1 to 15 μg·mL^-1; the detection limit is 0.029 μg·mL^-1; the relative standard deviation (RSD) range is from 0.8% to 2.5%; and the recovery rate range is from 99.6% to 101.2%. It is a simple and convenient method for accurate analysis of Pd in the exhaust catalysts.
		2009 Vol. 29 (12): 3409-3411 [Abstract] ( 2158 ) PDF (456 KB) ( 388 )

	3412	Determination of Eight Metal Elements in Cichorium glandulosum Boiss et Huet by Microwave Digestion-FAAS
		PEI Ling-peng¹，ZHOU Xiao-ying²，CUI Jian¹，PANG Zong-ran¹，LIU Hong-bing³，GE Liang³
		DOI: 10.3964/j.issn.1000-0593(2009)12-3412-04
		The Cichorium glandulosum Boiss et Huet is a traditional Uighur natural herbal medicine, but has not been analyzed and studied in terms of its metal elements. In the experiment, the Cichorium glandulosum Boiss et Huet powder was digested with HNO₃ by microwave digestion before determination. The eight metal elements, potassium, nickel, calcium, magnesium, iron, manganese, copper and zinc, in Cichorium glandulosum Boiss et Huet were determined by FAAS. The working conditions, accuracy and precision of the method were studied. The linear correlations of standard curves are good (r=0.999 1-0.999 9). The recovery (n=6) is 92.25%-110.5%, and the RSD (n=6) is 0.7%-3.88%. The results showed that there were comparatively rich metal elements, among which are comparatively high calcium (65.84 mg·g^-1), iron (24.38 mg·g^-1), magnesium (278.17 mg·g^-1) and potassium (18.50 mg·g^-1), in Cichorium glandulosum Boiss et Huet, and the contents of other elements are nickel of 0.004 38 mg·g^-1, manganese of 0.52 mg·g^-1, copper of 0.016 5 mg·g^-1 and zinc of 0.18 mg·g^-1. This provided useful data for discussing the relationship between the content of the metal elements in Cichorium glandulosum Boiss et Huet and its clinical application in cardiovascular and osteoporosis disease.
		2009 Vol. 29 (12): 3412-3415 [Abstract] ( 2169 ) PDF (504 KB) ( 388 )

	3416	Speciation Analysis of Eight Metal Elements in the Leaves of Alstonia Scholaris by Flame Atomic Adsorption Spectrometry
		YE Yan-qing¹, WU Na¹, YANG Li-juan¹, NIAN Xiao², ZHANG Dai-yun¹, GAO Yun-tao¹
		DOI: 10.3964/j.issn.1000-0593(2009)12-3416-04
		The eight elements, Cu, Zn, Fe, Mg, Ca, Cr, Mn and Cd, in the leaves of Alstonia scholaris were extracted based on traditional analytical flowchart program and separated into water-soluble state and suspension state by micro porous filtering film. The water-soluble state was divided into organic state and inorganic state based on macro porous adsorption resin. The elements were detected by flame atomic adsorption spectrometry (FAAS). The results show that the extractive rates of the elements were in the range of 9.84%-89.07%, and the immersion-residue ratio in the range of 10.96%-903.4%. Adsorption ration of suspension state was in the range of 3.44%-23.37%. The recovery ratios by standard addition were in the range of 94.5%-111.6%, and the relative standard deviations (RSD) were in the range of 0.29%-2.47%. The precision and accuracy of determining results are satisfactory.
		2009 Vol. 29 (12): 3416-3419 [Abstract] ( 636 ) PDF (447 KB) ( 388 )

	3420	Reducing the Searching Range of Supernova Candidates Automatically in a Flood of Spectra of Galaxies
		TU Liang-ping^1，2，3,LUO A-li³,WU Fu-chao¹,ZHAO Yong-heng³
		DOI: 10.3964/j.issn.1000-0593(2009)12-3420-04
		Supernova (SN) is one of the most intense astronomical phenomena among the known stellar activities, but compared with several billion astronomical objects which people have probed, the number of supernova the authors have observed is very small. Therefore, the authors need to find faster and higher-efficiency approaches to searching supernova. In the present paper, we present a novel automated method, which can be successfully used to reduce the range of searching for la supernova candidates in a huge number of galaxy spectra. The theoretical basis of the method is clustering and outlier picking, by introducing and measuring local outlier factors of data samples, description of statistic characters of SN emerges in low dimension space. Firstly, eigenvectors of Peter’s la supernova templates are acquired through PCA projection, and the description of la supernova’s statistic characters is calculated. Secondly, in all data set, the local outlier factor (LOF) of each galaxy is calculated including those SN and their host galaxy spectra, and all LOFs are arranged in descending order. Finally, spectra with the largest first one percent of all LOFs should be the reduced la SN candidates. Experiments show that this method is a robust and correct range reducing method, which can get rid of the galaxy spectra without supernova component automatically in a flood of galaxy spectra. It is a highly efficient approach to getting the reliable candidates in a spectroscopy survey for follow-up photometric observation.
		2009 Vol. 29 (12): 3420-3423 [Abstract] ( 2097 ) PDF (874 KB) ( 393 )

	3424	An Automated Stellar Spectra Classification System Based on Non-Parameter Regression and Nearest Neighbor Method
		ZHANG Jian-nan¹, ZHAO Yong-heng¹, LIU Rong²
		DOI: 10.3964/j.issn.1000-0593(2009)12-3424-05
		The automated classification and recognition of stellar spectra is an important research for the spectra processing system of modern telescope survey project. For the spectra without flux calibration, the authors present an automated stellar spectra classification system to achieve two goals: one is the spectral class and spectral subclass classification, and the other is luminosity type recognition. The system is composed of three units: (1) continuum normalization method based on wavelet technique; (2) non-parameter regression method for spectral class and spectral subclass classification; (3) χ^２ method based on nearest neighbor for luminosity type determination. The experiments on low-resolution spectra show that the system achieves 3.2 spectral subclass precision for spectral and spectral subclass classification, 60% correct rate for luminosity recognition, and 78% rate for the luminosity recognition with error less than or equal to 1. The system is easy, rapid in training, and feasible for the automated spectra classification.
		2009 Vol. 29 (12): 3424-3428 [Abstract] ( 1233 ) PDF (1312 KB) ( 612 )

	3429	Spectral Analysis of Fiber Bragg Grating Modulated by Double Long Period Grating and Its Application in Smart Structure Monitoring
		LU Ji-yun, LIANG Da-kai, ZHANG Xiao-li^*, ZHU Zhu
		DOI: 10.3964/j.issn.1000-0593(2009)12-3429-05
		Spectrum of fiber bragg grating (FBG) sensor modulated by double long period grating (LPFG) is proposed in the paper. Double LPFG consists of two LPFGS whose center wavelengths are the same and reflection spectrum of FBG sensor is located in linear range of double LPFG transmission spectrum. Based on spectral analysis of FBG and double LPFG, reflection spectrum of FBG modulated by double LPFG is obtained and studied by use of band-hider filter characteristics for double LPFG. An FBG sensor is attached on the surface of thin steel beam, which is strained by bending, and the center wavelength of FBG sensor will shift. The spectral peak of FBG sensor modulated by double LPFG is changed correspondingly, and the spectral change will lead to variation in exit light intensity from double LPFG. Experiment demonstrates that the relation of filtering light intensity from double LPFG monitored by optical power meter to center wavelength change of FBG sensor is linear and the minimum strain of material (steel beam) detected by the modulation and demodulation system is 1.05 με. This solution is used in impact monitoring of optical fibre smart structure, and FBG sensor is applied for impulse response signal monitoring induced by low-velocity impact, when impact pendulum is loaded to carbon fiber-reinforced plastics (CFP). The acquired impact response signal and fast Fourier transform of the signal detected by FBG sensor agree with the measurement results of eddy current displacement meter attached to the FBG sensor. From the results, the present method using FBG sensor is found to be effective for monitoring the impact. The research provides a practical reference in dynamic monitoring of optical fiber smart structure field.
		2009 Vol. 29 (12): 3429-3433 [Abstract] ( 1836 ) PDF (1381 KB) ( 355 )

	3434	《光谱学与光谱分析》2009年(第29卷)总目次(第1～12期)


		2009 Vol. 29 (12): 3434-3454 [Abstract] ( 899 ) PDF (5270 KB) ( 359 )

　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