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2013 Vol. 33, No. 09 Published: 2013-09-01

光谱学与光谱分析

	2305	Multi-Spectroscopy Applied to Study on a Late Neolithic Colored Stone from Yuhui Site in Huaihe Basin
		WANG Hai-gang¹, JIN Zheng-yao^{1, 3*}, XIE Zhi², FAN An-chuan¹, YAN Li-feng^{1, 3}, ZHU Bing-quan⁴, WANG Ji-huai⁵
		DOI: 10.3964/j.issn.1000-0593(2013)09-2305-06
		The unearthing of a large number of red-yellow colored stones in Yuhui Site, Bengbu city, Anhui province of China, which was the only site of Longshan culture appointed by “Origin of the Chinese Civilization Project” in the Huaihe River basin, has drawn a widespread attention in archaeology. The present research was undertaken to examine elements, mineral composition and thermal history of one red-yellow color stone in different positions, classified according to specialized colors, by means of synchrotron radiation X-ray fluorescence (SR-XRF), X-ray diffraction (XRD), laser Raman spectroscopy (LRS), electron probe micro-analysis ( EPMA ) and thermoluminescence (TL). The results show that the main body of the color stone is limonite with a large amount of quartz inclusion. The yellow substances on the surface layer of the color stone were identified as goethite (α-FeOOH), and the red ones as red ochre (α-Fe₂O₃+clay+silica). The internal yellow brown substances inside the stone are mainly aphanitic goethite with a number of chromites and manganese dioxide, and also with small quantity of barite and bismuth. And the color stones are without historical firing treatment. These kinds of special polymetallic ores with unique nature and complex geologic history, which were unearthed in the late neolithic site with large numbers, may be closely related to some kind of primitive religious beliefs and special sacrificial practices.
		2013 Vol. 33 (09): 2305-2310 [Abstract] ( 876 ) PDF (4782 KB) ( 391 )

	2311	Temperature Characteristics of Huang-Ryes Factor of All-Trans-β-Carotene
		LI Shuo¹, SUN Shang¹, LI Zuo-wei¹, QU Guan-nan¹, LIU Tian-yuan¹, SUN Cheng-lin¹, FAN Li-mei^{1, 2*}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2311-04
		A Visible absorption and Raman spectra of all-trans-β-carotene was measured in cyclohexanol solution in the temperature range from 68 ℃ to 26 ℃. The results indicated that the visible absorption spectra are red-shifted, Raman scattering cross section increases, Huang-Ryes factor and electron-phonon coupling constants of CC bond vibration modes decreases with the temperature decreasing. The changes are interpreted using the theory of “coherent weakly damped electronic-lattice vibration model” and “effective conjugation length model”. The red shift of the absorption spectra and intensity of the Raman active are attributed to the thermal conformational change-induced increase in the effective conjugation length in all-trans-β-carotene chains. All-trans-β-carotene has strong coherent weakly damped CC bonds vibrational properties, which lead to large Raman scattering cross section in the solvent of low temperature. The electron-phonon coupling constants with dimension are used，which can easily establish relation with the Huang-Rhys factor and calculate the electron-phonon coupling constants of CC bond vibration modes. Effective conjugation length, the π-electron delocalization range and the Raman scattering cross section are described by the electron-phonon coupling constants.
		2013 Vol. 33 (09): 2311-2314 [Abstract] ( 1003 ) PDF (2077 KB) ( 481 )

	2315	Study Progress of Spectral Color Science and Its Prospect of Application in the Field of Chinese Medicine
		YIN Fang-zhou, WU Xiao-yan, MAO Chun-qing, JI De, CAI Bao-chang, LU Tu-lin^*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2315-06
		The paper reviewed the research progress in the spectral color science, including the common model, color measurement instrument in recent years, application of color measurement technology in agriculture, food, industry, medicine and other fields. The possibility to achieve the color quantization of Chinese medicine was explored by color measurement technology, and analyzed its application prospect in the field of Chinese medicine, provided a model for the study on quality control for Chinese medicine non-destructive online
		2013 Vol. 33 (09): 2315-2320 [Abstract] ( 858 ) PDF (1585 KB) ( 438 )

	2321	Spatial Distribution of Electrons with High Energy in Atmospheric Pressure Glow Discharge Excited by DC Voltage
		LIU Zhi-qiang, JIA Peng-ying^*, LIU Tie
		DOI: 10.3964/j.issn.1000-0593(2013)09-2321-04
		Atmospheric pressure glow discharge excited by a DC voltage was realized in a 6 mm air gap by using a needle-water electrode discharge device. The atompheric pressure glow discharge has characteristic regions such as a cathode fall, a negative glow, a Faraday dark space, a positive column and an anode glow. The discharge is a normal glow through analyzing its voltage-current curve. The emission intensity of 337.1 nm spectral line from the second positive system of N₂ was investigated because it can indicate the electron density with high energy. Results show that the maxima of high energy electrons appears in the vicinity of the needle tip, and it almost remains constant at other locations. The density of high energy electrons decreases with increasing the voltage. Similarly, it decreases with increasing the value of the ballast resistor. Oxygen atom is important for the sterilization and disinfection. The distribution of oxygen atom was also investigated by optical emission spectroscopy. It was found that the oxygen distribution is similar with the distribution of high energy electrons. These results are important for the application of atmospheric pressure glow discharge in environmental protection and biological treatment.
		2013 Vol. 33 (09): 2321-2324 [Abstract] ( 905 ) PDF (1943 KB) ( 403 )

	2325	Influence of Pressure on Plasma Temperature of Octagon Structure in Dielectric Barrier Discharge
		DONG Li-fang, ZHAO Long-hu, WANG Yong-jie, TONG Guo-liang, DI Cong
		DOI: 10.3964/j.issn.1000-0593(2013)09-2325-04
		Octagon structure consisting of the spots and lines was firstly observed in discharge in argon and air mixture by using a dielectric barrier discharge device with water electrodes. Plasma temperatures of the spots and lines in octagon structure at different gas pressure were studied by using optical emission spectra. The emission spectra of the N2 second positive band(C³Π_u→B³Π_g)were measured, and the molecule vibrational temperatures of the spots and lines were calculated by the emission intensities. Based on the relative intensity of the line at 391.4 nm and the N₂ line at 394.1 nm, the average electron energy of the spots and lines were investigated. The spectral lines of Ar Ⅰ 763.26 nm (2P₆→1S₅) and 772.13 nm (2P₂→1S₃) were chosen to estimate electron excitation temperature of the spots and lines by the relative intensity ratio method. The molecule vibrational temperature, average electron energy, and electron excitation temperature of the lines are higher than those of the spots at the same pressure. The molecule vibrational temperature, average electron energy, and electron excitation temperature of the spots and lines decrease with pressure increasing from 40 to 60 kPa.
		2013 Vol. 33 (09): 2325-2328 [Abstract] ( 873 ) PDF (2044 KB) ( 350 )

	2329	Vibrational Spectra of Corallium Elatius
		FAN Lu-wei^1*, ZHANG Yan², HU Yang³
		DOI: 10.3964/j.issn.1000-0593(2013)09-2329-03
		Corallium elatius, which has unique color distribution characteristic, is the most important species of Taiwan precious corals. EPMA, XRD, FTIR and Laser Raman detective methods were used to study the chemical, mineral composition and spectra characteristics of Corallium elatius. The result of EPMA, XRD and FTIR shows the high-Mg calcite mineral component and the stable minor chemical constituents of the samples. Meanwhile, the cell parameter indicates the lattice distortion and the preferred orientation of calcite grain caused by organic matter. The red part of the samples shows a different Raman spectrum from that of the white part, located at 1 517/1 128 cm^-1 and 1 296/1 016 cm^-1. Raman scattering measurement reveals the relationship between the organic matter and color.
		2013 Vol. 33 (09): 2329-2331 [Abstract] ( 747 ) PDF (1518 KB) ( 431 )

	2332	Photoinduced Electron Ttransfer between [Ru(bpy)₃]²⁺ and Copper(Ⅱ) Ion in Composite Films Mediated by DNA
		JIANG Zhen-shen, CHEN Min-jian, LI Hong^*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2332-06
		An orange-red [Ru(bpy)₃]²⁺-DNA-Cu²⁺ composite film (bpy = 2,2′-bipyridine) was fabricated on an indium-tin (ITO) surface based on electrostatic interactions among [Ru(bpy)₃]²⁺, DNA and Cu²⁺ by using self-standing cast methods. The photoinduced electron transfer (PET) properties of the resultant composite film mediated by DNA were studied by means of steady-state and time-resolved fluorescence spectroscopy, UV-visible absorption spectroscopy, fluorescence microscopic imaging and scan electron microscopy. The [Ru(bpy)₃]²⁺-DNA-Cu²⁺ composite film with molar ratio of 10∶20∶1 shows an obvious absorption band (450 nm) and an intense emission peak (λ_em=595 nm), whose emission exhibits a single-exponential decay with τ=188.6 ns and is quenched by Cu²⁺ via DNA-mediated PET mechanism, indicating that the quenching constant is 6.94×10³ L·mol^-1 and quenching rate constant is 3.80×10¹⁰ L·mol^-1·s^-1. The increasing molar ratio of Cu²⁺ in composite films (10-fold) leads to an 11 nm blue-shift of the emission peak, which is dramatically weakened by Cu²⁺ via a static quenching mechanism. In addition, compared with the emission quenching of DNA-[Ru(bpy)₂(tatp)]²⁺ (tatp=1,4,8,9-tetra-aza-triphenylene) tuned by Cu²⁺, which is present either in solutions or in composite films, Cu²⁺ only quenches the emission of [Ru(bpy)₃]²⁺ bound to DNA via an electrostatic interaction mode in composite films.
		2013 Vol. 33 (09): 2332-2337 [Abstract] ( 838 ) PDF (2608 KB) ( 341 )

	2338	The Spectrum Characteristic Analysis of Mammoth Ivory
		YIN Zuo-wei¹, LUO Qin-feng², ZHENG Chen¹, BAO De-qing¹, LI Xiao-lu³, LI Yu-ling⁴, CHEN Quan-li^1*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2338-05
		Due to the similarities between mammoth ivory ornaments and modern elephant ivory ones in the market, the spectral properties of the two kinds of ivories were analyzed and compared in the present paper through the gemological tests, infrared spectrum and X-ray powder diffraction, etc. The research found that the refractive index and specific gravity of the two ivories are very similar. The refractive index of mammoth ivory is 1.52～1.53 whereas that of elephant ivory is 1.54～1.55.The specific gravity of mammoth ivory is 1.77 and that of elephant ivory is 1.72. It should be careful that Schreger angles are used to distinguish the two kinds of ivories, because the angles of inner and middle layers in the two kinds of tusks are similar except the angles of elephant tusk out-layers are larger than those of mammoth (The Schreger angle of the sample mammoth ivory belonging to out-layer tusks is 100°and that of elephant ivory is 115°). In addition, the out-layer Schreger angles of Asian elephants are normally less than 120°, while those of Africa elephants are bigger than 120°(This can be used to identify Asian and Africa elephant ivories). The infrared spectroscopy test shows that the water-molecule-related absorption peaks of 3 319, 1 642 and 1 557 cm^-1 are more obvious in the modern elephant ivory samples than in the mammoth ivory samples; the collagen-related absorption peaks of 2 927and 2 855 cm^-1 are obvious in the modern elephant ivory but extremely weak in the mammoth ivory. The results indicate that collagen and crystallized water in mammoth ivory reduced to a very low level after having been buried for a long period. X-ray powder diffraction results show that the diffraction peak splits of mammoth ivories are more obvious and sharp than that of elephant ivories, which means hydroxyapatites crystallized better despite being buried for thousands of years. Hence, it is an important reference for identifying the two kinds of ivories that the ivory organic matter was losing and inorganic matter crystallized better at same time after having been buried.
		2013 Vol. 33 (09): 2338-2342 [Abstract] ( 924 ) PDF (2907 KB) ( 428 )

	2343	Frequency Correction in Terahertz Absorption Spectroscopy
		WU Bin^{1, 2}, SHI Xue-shun^{1, 2}, SUN Qing³, DENG Yu-qiang³, WANG Heng-fei², CHEN Kun-feng²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2343-05
		Measurement errors in frequency domain always appear when testing samples’ terahertz (THz) absorption spectrum using terahertz time-domain spectroscopy (THz-TDS) system，which is supposed to be attributed to the sampling accuracy of the high speed electro-optic sampling system. In order to make the measurement have a high accuracy, the method of error correction was studied in the present article. Carbon monoxide in gas phase was employed as our standard sample, and its absorption spectrum at the pressure of 2.0×10⁵ Pa was measured experimentally. Comparing the obtained absorption frequencies with the corresponding standard data in JPL database, we got the error values, and their distribution law shows that the values have a linear correlation with the standard absorption frequency. Based on this, the error correction model was built. Using the model to correct the experimental data, the result shows the maximum error after correction is reduced to 3.36 GHz, which is two orders of magnitude lower than the error before correction. This states that the model can be used to correct the error of the THz spectrum caused by high speed electro-optic sampling system. At last, the authors draw a conclusion that the THz-TDS system is supposed to be corrected by the terahertz spectrum of carbon monoxide before measurement, in this way, the terahertz spectrum of sample can have a high accuracy. The study contributes to the material identification and the construction of molecular spectroscopy database in THz region.
		2013 Vol. 33 (09): 2343-2347 [Abstract] ( 808 ) PDF (1962 KB) ( 411 )

	2348	Applications of Terahertz Spectroscopy in Illicit Drugs Detection
		HE Ting, SHEN Jing-ling^*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2348-06
		The present paper reviewed our recent research on illicit drugs detection by using terahertz (THz) spectroscopy technique. First, we found a THz spectral database which contains 38 types of pure illicit drugs. Second, we employ the artificial neural network (ANN) and support vector machine (SVM) methods as useful automatic tools to identify the illicit drugs. Third, a theoretical and experimental method has been developed to confirm the illicit drug purity and effective component content. Forth, Gaussian Software was used for spectral analysis of some individual samples, such as MA, ketamine, heroin, etc. Fifth, we built a smart portable Terahertz time domain spectroscopy system (THz-TDS). These works provide a solid scientific foundation for illicit drug identification by using THz spectroscopy technique. And also, as a complement detection approach, it will serve public security work.
		2013 Vol. 33 (09): 2348-2353 [Abstract] ( 989 ) PDF (2328 KB) ( 528 )

	2354	Discrimination of Pressed and Extracted Camellia Oils by Vis/NIR Spectra Combined with UVE-PLS-LDA
		WEN Zhen-cai^{1, 4}, SUN Tong², GENG Xiang³, LIU Mu-hua^2*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2354-05
		Camellia oil is a special and high quality edible oil in China, and quality of pressed camellia oils is superior to extracted camellia oils. The objective of the present research was to discriminate pressed and extracted camellia oils by visible/near infrared (Vis/NIR) spectroscopy. The transmission spectra of pressed and extracted camellia oil samples were acquired using a QualitySpec spectrometer in the wavelength range of 350~1 800 nm. Uninformative variable elimination (UVE) was used to select informative wavelength variables, and eliminate uninformative wavelength variables, then partial least squares combined with linear discriminant analysis (PLS-LDA) was used to develop classification model. At last, the classification model was used to discriminate 26 samples in the prediction set. The results indicate that UVE-PLS-LDA is an efficient discrimination and classification method, pressed and extracted camellia oils can be discriminated well by the classification model developed by UVE-PLS-LDA, the accurate rate is 100% for both samples in the calibration and prediction sets. So, Vis/NIR spectra combined with UVE-PLS-LDA is an effective method for discriminating pressed and extracted camellia oils.
		2013 Vol. 33 (09): 2354-2358 [Abstract] ( 839 ) PDF (1695 KB) ( 431 )

	2359	FTIR Study of the Influence of Leaf Senescence on Magnoliaceae Cluster Analysis
		LI Lun¹, LIU Gang^1*, OU Quan-hong¹, ZHANG Li¹, LIU Jian-hong², SUN Shi-zhong²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2359-04
		Fourier transform infrared (FTIR) spectroscopy combined with hierarchical cluster analysis was used to study the influence of leaf senescence on magnoliaceae cluster. FTIR spectra of young, mature and old yellow leaves were obtained from 14 species trees belonging to the three magnoliaceae subtribes. Results showed that the infrared spectra of the three subtribes plant leaves were similar, only with minor differences in the absorption intensity of several peaks. Hierarchical cluster analysis was performed on the second derivative infrared spectra in the range 1 800～700 cm^-1. The HCA results showed that the cluster based on mature leaves is better than that based on young and old yellow leaves. Our study suggests that it should be cautious to select leaf sample while using leaf spectra for classification.
		2013 Vol. 33 (09): 2359-2362 [Abstract] ( 848 ) PDF (2283 KB) ( 414 )

	2363	Multivariate Detection Limits of Baicalin in Qingkailing Injection Based on Four NIR Spectrometer Types
		PENG Yan-fang, SHI Xin-yuan, ZHOU Lu-wei, PEI Yan-ling, LI Yang, WU Zhi-sheng^, QIAO Yan-jiang^
		DOI: 10.3964/j.issn.1000-0593(2013)09-2363-06
		Multivariate detection limits (MDLs) of different types of near-infrared instruments were investigated to guide the selection of device type for TCM NIR analysis. In this paper, near-infrared spectroscopy of Qingkailing injection was performed in transmission mode on four near-infrared spectrometers named a, b, c and d, respectively. High performance liquid chromatography (HPLC) was used as the reference method to determine the content of baicalin in Qingkailing injection. Partial least squares (PLS) and interval partial least squares (iPLS) quantitative models of baicalin in Qingkailing injection were established and MDLs of quantitative models based on different types of instruments were calculated. The determination coefficient of prediction(R²_pre)and the root mean square errors of prediction (SEP) of PLS models of four different near-infrared spectrometers are 0.976 2 and 230.4 μg·mL^-1 (a), 0.956 1 and 246.4 μg·mL^-1 (b), 0.966 2 and 264.4 μg·mL^-1 (c), 0.998 5 and 71.5 μg·mL^-1 (d). And the model of instrument d shows a better prediction performance than the other three types. There are no remarkable superiorities in predictability in iPLS models of instruments a and b after variable selection, since the R²_pre and SEP values for instruments a and b are 0.977 1 and 218.4 μg·mL^-1, and 0.975 4 and 219.4 μg·mL^-1, respectively. Models c and d show no results of variable selection. MDLs (Δ_{0.05, 0.05}) of different instruments are all less than 250 μg·mL^-1, and the MDLs of instruments c and d reach to 58 and 2.9 μg·mL^-1 respectively. The results reveal that the predictability of models and corresponding MDLs are different for different detection equipments. This paper innovatively used the theory of MDL to investigate the detection performance of different types of NIR instruments. The results demonstrated the feasibility of the approach. And it is expected that in actual applications, choosing the right type of instrument should be based on the characteristics of the study carrier to ensure quantitative accuracy.
		2013 Vol. 33 (09): 2363-2368 [Abstract] ( 896 ) PDF (3113 KB) ( 399 )

	2369	FTIR Microspectroscopic Investigation of the Age-Related Changes of Subchondral Bone of the Knee in Guinea Pig
		YANG Li-ping¹, LIU Jian-ling², SONG Qing-hui¹, ZHU Jia¹, ZHANG Wan-qiang¹, KONG Huan-yu¹, ZHAO Tie-jun^3*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2369-05
		Fourier transform infrared (FTIR) microspectroscopy was applied to in-situ analyse the chemical change of tibial articular subchondral bone of female Hartley guinea pigs with age increase. Three infrared absorption regions (a,b,c) of trabecular bone and central marrow region of the subchondral bone were measured for guinea pigs of different ages (1 months，2 months and 3 months) using the infrared spectrum. Results show that (1) with months increasing, the total area of trabecular bone is increasing, meanwhile, the region a which is similar to normal trabecular bone spectra is decreasing, and region d waveform has the same trend as region a.(2) In the second and third month, region b & c show amide Ⅲ redshift and the red shift in region c shows a shoulder peak, showing the absorption peak intensity on behalf of nucleic acid and polysaccharide in region b & c is 7 times that in region a.(3)β glycosidic bond absorption peak appears at region c in 3 different old pigs.(4) I_amideⅢ/I_amideⅡ is the highest in region b in the second month but lowest in the third month; I_amideⅢ/I_amideⅡ reduces from a to c in the second and third month; I_{ν_sPO^-₂}/I_amideⅡ in region b & c is 7 times higher than region a in the second and third Month. These results are consistent with the regular pattern of change rule of osteoarthritis subchondral bone’s organization structure and chemical composition in different stages . Our primary result illustrated that FTIR microspectroscopy can be used for in-situ analysis of the molecular organization of subchondral trabecular bone and bone marrow. It provides reliable pathology information for osteoarthritis subchondral bone tissue at molecular level.
		2013 Vol. 33 (09): 2369-2373 [Abstract] ( 840 ) PDF (2513 KB) ( 431 )

	2374	Study on the FTIR Spectra of OH in Olivines from Mengyin Kimberlite
		AI Qun¹, YANG Zhi-jun^1，2*, ZENG Xiang-qing¹, ZHENG Yun-long¹, HU Piao-ye¹
		DOI: 10.3964/j.issn.1000-0593(2013)09-2374-05
		The results of FTIR spectra study of OH in olivines from Mengyin kimberlite show that there are more than 60 OH absorption peaks in the range of 3 800～3 000 cm^-1. We identified four major spectral features in the OH absorption bands of kimberlitic olivines. One is with ν_OH in the range of 3 800～3 700 cm^-1, which is caused by the vapour of the room circumstance, and can not be regarded as intrinsic or non-intrinsic ν_OH of the olivines. Another one is with ν_OH in the range of 3 710～3 620 cm^-1, which belongs to three “water”-bearing minerals including serpentine, talc and Mg-bearing amphiboles, which is the non-intrinsic ν_OH of the olivines. There is the possibility that H in hydrous minerals mainly entered into olivines during post-emplacement processes of the kimberlite magma. The third one is with ν_OH in the range of 3 620～3 425 cm^-1, which originated from H occupying the Si-defect in the olivine structure, forming humite-like defects, and/or the defects that H occupies (Mg,Fe)-depletion, which is certainly attributed to the intrinsic ν_OH of the olivines. In this case, H possibly entered into olivines following its immersion in the high temperature and rich fluid kimberlite magma in the mantle circumstance. The last one is with ν_OH in the range of 3 425～3 000 cm^-1. In this area, ν_OH is assigned to fluid inclusions of the olivines, and is the non-intrinsic ν_OH of olivines. Fluid inclusions can enter into the olivines either during post-emplacement processes of the kimberlite magma or during the periods that olivines were formed in the mantle.
		2013 Vol. 33 (09): 2374-2378 [Abstract] ( 893 ) PDF (1573 KB) ( 393 )

	2379	Preparation of Chitosan/Strontium-Substituted Hydroxyapatite Films on Titanium and Its FTIR Characteristics
		HUANG Yong^1,3, HAN Shu-guang¹, DING Qiong-qiong¹, YAN Ya-jing¹, PANG Xiao-feng^{1, 2*}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2379-04
		Chitosan/strontium-substituted hydroxyapatite (CHI/SrHAP) coatings were prepared on titanium substrate by electrochemical deposition technique containing Sr²⁺, Ca²⁺, PO^3-₄ and Chitosan. The as-prepared coatings were examined by scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) tests. The results indicate that the CHI/SrHAP coatings take the morphology of flake-like rather than the needle-like crystal ，and the composite coating becomes more compact. The FTIR test indicates that the typical vibration absorption peaks of chitosan (amideⅠand amideⅡ) emerged，simulated body fluid immersion test proved that the CHI/SrHAP coatings had induced carbonate-apatite formation, indicating that the composite coating possesses excellent biocompatibility. In the electrochemical corrosion testing, that the CHI/SrHAP coatings showed stronger corrosion resistance than pure Ti.
		2013 Vol. 33 (09): 2379-2382 [Abstract] ( 825 ) PDF (2467 KB) ( 428 )

	2383	Improving the Temperature Robustness of the DOAS Based on Two-Dimensional Correlation Spectroscopy Technology
		LI Hong-lian^{1, 2, 3}, WEI Yong-jie⁴, Lü Chuan-ming^{1, 2}, CHEN Wen-liang^{1, 2*}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2383-04
		The accuracy of the measurement results will be influenced by the ambient temperature in the real-time monitoring based on Differential Optical Absorption Spectroscopy (DOAS). A novel method to improve the temperature robustness of DOAS technology is adopted by two-dimensional correlation spectroscopy technology. Two-dimensional correlation is used to analyse the SO₂ absorption cross section at different temperatures. The diagonal slices of synchronization correlation spectroscopy which come from dynamic absorption cross section are obtained. The wavelength 300.5～310 nm is used as the preferred inversion wavelength range based on the slices. The field measurement results and reference value are compared. Results show that the 24-hour average measurement error is 22.5% at 290～310 nm and that at 300.5～310 nm is 9.9%. The correlation coefficients are 0.949 6 and 0.780 8, respectively. Two-dimensional correlation DOAS technology can be applied to enhance the robustness of temperature, and to improve the accuracy of the measurement results.
		2013 Vol. 33 (09): 2383-2386 [Abstract] ( 785 ) PDF (2002 KB) ( 319 )

	2387	Simplification of NIR Model for Citrus’s Sugar Content Based on Sensory Methods
		YUAN Lei-ming, SUN Li, LIN Hao, HAN En, LIU Hai-ling, CAI Jian-rong^*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2387-05
		The prediction of sugar content (SC) in citrus by near-infrared spectroscopy (NIRS) and sensory test was investigated the validation whether the result of non-destructive determination methods by NIRS can meet the request of consumers’ sensory or not, and the simplification of the prediction model of NIRS for citrus’s SC with variables selection on the basis of meeting their demands. Result of the latter analyzed by one-way ANOVA shows that there was a significant difference influenced by individual diversity, but not by gender. After excluding the sensuous outliers, root mean standard error of deviation (RMSED) of every participator was calculated and the minimum equaled to 0.633, which was chosen as borderline of NIR model’s RMSEP to meet the sensory request. Then, combined with spectral preprocessing and variables selection methods, SPA-MLR model was obtained by its robustness with R_p=0.86, as well as RMSEP=0.567 for prediction set, furthermore, prediction time just costs 6.8 ms. The achievement that not only meets the customers’ sensory, but also simplifies the prediction model can be a good reference for real time application in future.
		2013 Vol. 33 (09): 2387-2391 [Abstract] ( 833 ) PDF (2453 KB) ( 532 )

	2392	TG-FTIR Study of the Thermal-Conversion Properties of Holo-Cellulose Derived from Woody Biomass
		REN Xue-yong¹, WANG Wen-liang¹, BAI Tian-tian¹, SI Hui², CHANG Jian-min^1*, TIAN Hong-xing¹
		DOI: 10.3964/j.issn.1000-0593(2013)09-2392-06
		Thermal-conversion properties of cellulose, hemi-cellulose and holo-cellulose derived from woody biomass were studied using TG-FTIR, and also compared to those of avicel cellulose and xylan. 3-D diffusion model was applied to calculate the kinetic parameters of thermal-conversion reaction of biomass materials, such as the activation energy, pre-exponential factors, etc, which showed good regression results. With the analysis of three-dimensional IR spectra of gas products, featured peaks of H₂O, CO, CO₂, CH₄, and oxygenates were obviously observed where showing up with the maximum weight-loss rate in DTG curves. The possible forming routes of major gaseous products were analyzed and discussed. The order of releasing amounts for gaseous productions was approximately as CO₂>H₂O>CO≈CH₄. Based on the comprehensive understanding and comparative analysis of the whole results, it is concluded that the thermal conversion process of holo-cellulose was the result of interaction between cellulose and hemi-cellulose under the dominant role of cellulose.
		2013 Vol. 33 (09): 2392-2397 [Abstract] ( 899 ) PDF (3838 KB) ( 414 )

	2398	New Vegetation Index Fusing Visible-Infrared and Shortwave Infrared Spectral Feature for Winter Wheat LAI Retrieval
		LI Xin-chuan^1,2,3, BAO Yan-song³, XU Xin-gang^1,2*, JIN Xiu-liang^1,2, ZHANG Jing-cheng^1,2, SONG Xiao-yu^1,2
		DOI: 10.3964/j.issn.1000-0593(2013)09-2398-05
		Considering the great relationships between shortwave infrared (SWIR) and leaf area index (LAI), innovative indices based on water vegetation indices and visible-infrared vegetation indices were presented. In the present work, PROSAIL model was used to study the saturation sensitivity of new vegetation indices to LAI. The estimate models about LAI of winter wheat were built on the basis of the experiment data in 2009 acting as train sample and their precisions were evaluated and tested on the basis of the experiment data in 2008. Ten visible-infrared vegetation indices and five water vegetation indices were used to construct new indices. The result showed that newly developed indices have significant relationships with LAI by numerical simulations and in-situ measurements. In particular, by implementing modified standardized LAI Determining Index(sLAIDI*), all new indices were neither sensitive to water variations nor affected by saturation at high LAI levels. The evaluation models could improve prediction accuracy and have well reliability for LAI retrieval. The result indicated that visible-infrared vegetation indices combined with water index have greater advantage for LAI estimation.
		2013 Vol. 33 (09): 2398-2402 [Abstract] ( 842 ) PDF (1888 KB) ( 518 )

	2403	Detection of Onion Soluble Solids Content Based on the Near-Infrared Reflectance Spectra
		WANG Hai-hua¹, LI Chang-ying²，LI Min-zan^1*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2403-04
		Onion soluble solids content (SSC) was detected using near-infrared (924～1 720 nm) reflectance spectra. Three cultivars of onions, harvested at different period, were selected for experiment and the total number of samples is 268. SSC reference value of onion juice was determined using the temperature compensated refractometer. Some pre-processing methods, such as S-G smoothing, scatter correction, and derivation, were compared to establish a statistical model based on partial least squares regression (PLSR) method. The results show that the avitzky-Golay smoothing with window 32 and span 10 is more efficient. The determination correlation coefficient of prediction R² is 0.87 and root mean square error (RMSEP) is 2.42 ° Brix. Compared to the 2nd derivation, the 1st derivation got better prediction result, but the spectra scatter correction is the best (R²=0.88, RMSEP of=2.31 ° Brix). The optimal prediction (R² =0.90, RMSEP=1.84 ° Brix and RPD=3) was built based on crossing validation modeling, which shows that infrared reflectance spectroscopy with scatter correction pre-processing is feasible for onions soluble solids detection.
		2013 Vol. 33 (09): 2403-2406 [Abstract] ( 875 ) PDF (1638 KB) ( 491 )

	2407	Quantitative Analysis of Transformer Oil Dissolved Gases Using FTIR
		ZHAO An-xin^{1, 2}, TANG Xiao-jun^1*, WANG Er-zhen¹, ZHANG Zhong-hua^{1, 3}, LIU Jun-hua¹
		DOI: 10.3964/j.issn.1000-0593(2013)09-2407-04
		For the defects of requiring carrier gas and regular calibration, and low safety using chromatography to on line monitor transformer dissolved gases, it was attempted to establish a dissolved gas analysis system based on Fourier transform infrared spectroscopy. Taking into account the small amount of characteristic gases, many components, detection limit and safety requirements and the difficulty of degasser to put an end to the presence of interference gas, the quantitative analysis model was established based on sparse partial least squares, piecewise section correction and feature variable extraction algorithm using improvement TR regularization. With the characteristic gas of CH₄, C₂H₆, C₃H₆, and CO₂, the results show that using FTIR meets DGA requirements with the spectrum wave number resolution of 1 cm^-1 and optical path of 10 cm.
		2013 Vol. 33 (09): 2407-2410 [Abstract] ( 849 ) PDF (1803 KB) ( 350 )

	2411	Research of Genesis of Black Bands in Burma Jadeite
		MAO Jian¹, CHAI Lin-tao², LIU Xue-liang¹, FAN Jian-liang¹, XU Jia-yuan², JIN Zhi-yuan²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2411-05
		A kind of jadeite jade with black bands appeared in the mining area of Burma, which presents a gray-black to black appearance. X-ray powder diffraction analysis shows that the components of the sample are mainly jadeite and a small amount of omphacite. A large number of small, dark mineral inclusions were observed by SEM (scanning electron microscopy), distributed in the mineral grain gaps and tensional fractures of jadeite. These inclusions show specific peak at 1 582 cm^-1, and some of them also show a peak at 1 346 cm^-1, indicating that these black inclusions are single crystal graphite and amorphous graphite, based on characteristic Raman spectra. These graphite inclusions forming different types of group lead to great light scattering loss in the range of 3 000 nm to visible wavelength resulting in large transparency loss and cause the black band in sample. Two series of zircons were found in the sample by microexamination with high crystallinity and inconspicuous metamictization, as testified by Raman spectroscopy.
		2013 Vol. 33 (09): 2411-2415 [Abstract] ( 838 ) PDF (2119 KB) ( 427 )

	2416	*Raman Spectra of Endospores of Bacillus Subtilis* by Alkali Stress**
		DONG Rong^{1, 2}, LU Ming-qian^{1, 3}, LI Feng^{1, 4}, SHI Gui-yu², HUANG Shu-shi^{1, 3*}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2416-05
		To research the lethal mechanism of spores stressed by alkali, laser tweezers Raman spectroscopy (LTRS) combined with principal components analysis (PCA) was used to study the physiological process of single spore with alkali stress. The results showed that both spores and germinated spores had tolerance with alkali in a certain range, but the ability of spores was obviously lower than that of spores due to the release of their Ca²⁺-DPA which plays a key role in spores resistance as well as spores resistance to many stresses; A small amount of Ca²⁺-DPA of spores was observed to release after alkali stress, however, the behavior of release was different with the normal Ca²⁺-DPA release behavior induced by L-alanine; The data before and after alkali stress of the spores and g.spores with PCA reflected that alkali mainly injured the membrane of spores, and alkali could be easily enter into the inner structure of spores to damage the structure of protein backbone and injure the nucleic acid of spores. We show that the alkali could result in the small amount of Ca²⁺-DPA released by destroying the member channel of spores.
		2013 Vol. 33 (09): 2416-2420 [Abstract] ( 820 ) PDF (2238 KB) ( 353 )

	2421	Surface-Enhanced Raman Spectroscopy Study of Vitamin B₁₂ on Copper Electrode
		WANG Bo¹, CHANG Da-hu², LU Gang¹, WANG Tian-hu³, ZHANG Zhen-long⁴, MO Yu-jun⁴
		DOI: 10.3964/j.issn.1000-0593(2013)09-2421-04
		The Vitamin B₁₂ molecule has long fascinated chemists because of its exclusive complex structure and unusual reactivities in biological systems. In order to achieve a better understanding of the structural attribute of the Vitamin B₁₂ molecule when it interacted with metal, in the present paper, the Vitamin B₁₂ molecules adsorbed on variation of copper electrode potential from 0 to -1.0 V was studied by surface-enhanced Raman spectroscopy (SERS). An excellent SERS substrate was obtained with in-situ electrochemical oxidation-reduction cycle (ORC), and its surface roughness was characterized by atomic force microscope (AFM). Assignments of Raman peaks observed by normal Raman spectrum (NRS) and SERS spectra of Vitamin B₁₂ molecule were given based on previous literatures. It was found that the potential-dependent relative intensity changed in SERS spectra which depended on the Vitamin B₁₂ molecular orientation with respect to the copper surface according to the surface selection rule (SSR). It was concluded that the corrin ring was adsorbed in tilt form on copper surface and the Co-CN group was farther away from the copper surface at higher potentials. With the decrease in potential, the tilt angle between the corrin ring and copper surface became smaller, then the Co-N group and 5,6 dimethylbenzimidazole group got close to the copper surface. The results offered an important structural attribute of Vitamin B₁₂ molecule when it interacted with copper electrode for the first time, and supplied a meaningful reference for the electrochemical bioactivity of the Vitamin B₁₂ molecule.
		2013 Vol. 33 (09): 2421-2424 [Abstract] ( 279 ) PDF (1911 KB) ( 435 )

	2425	Temperature Effect on the Hydrogen Bonding Behavior between DMSO and Water in Aqueous DMSO Solutions Studied by Raman Spectroscopy
		OUYANG Shun-li^{1, 2}, LI Zheng-qiang³, WU Nan-nan¹, LI Zuo-wei¹, SUN Cheng-lin¹, FAN Li-mei^1,4*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2425-04
		In the present paper, DMSO/H₂O mixture with the ratio of volume 1∶1 was measured in the cooling process by Raman spectroscopy, and the Raman assignments was made to the DMSO molecular and water molecular. The results showed that the behavior between intra-molecular hydrogen bonds and inter-molecular hydrogen bonds of DMSO and water leads to the change in the Raman spectra of the SO stretching vibration of DMSO and the O—H stretching vibration of water. Further analysis showed that the hydrogen bond between DMSO and water was enhanced in the course of temperature decreasing process (27 to -30 ℃), and the intramolecular hydrogen bonds between water and water replaced the intermolecular hydrogen bonds of DMSO and water in the course of temperature decreasing process (-30 to -60 ℃). The research provides experimental basis for hydrogen bonding theory in aqueous solution.
		2013 Vol. 33 (09): 2425-2428 [Abstract] ( 866 ) PDF (1761 KB) ( 464 )

	2429	Study on the Effect of Pressure on the Molecular Structure and π-Electron Delocalization of β-Carotene by Raman Spectroscopy
		WU Nan-nan^{1, 3}, OUYANG Shun-li^2, LI Zuo-wei^1
		DOI: 10.3964/j.issn.1000-0593(2013)09-2429-04
		In the present paper, studies on in-situ Raman spectra at high pressure up to 12.85 Gpa were performed on β-carotene using a diamond anvil cell (DAC), and the effects of pressure on the characteristic peaks and π-electron delocalization of β-carotene were discussed. The results showed that Raman frequencies of the main characteristic peaks of β-carotene shifted to high wavenumber with the increase in pressure. The relation between pressure and the three main characteristic peaks of β-carotene was given as follows：ν₁(CC)=4.74P+1 511.4, ν₂(C—C)=2.55P+1 157.6 and ν₃(CH₃)=2.25P+1 011.3. Under the pressure of 5.38 GPa, Raman spectrum of ν₁+ν₂ sum frequency of β-carotene was subjected to cleavage. Fuethermore, the degree of π-electron decolization was reduced with the increase in pressure, leading to CC double bond more compressible than C—C bond on the main chain of β-carotene.
		2013 Vol. 33 (09): 2429-2432 [Abstract] ( 947 ) PDF (2005 KB) ( 398 )

	2433	Chemical Adsorption of Thiosalicylic Acid on Silver Surface Investigated by Surface-Enhanced Raman Scattering
		LIU Wen-han, YUAN Rong-hui, TENG Yuan-jie, QIN Yan-ping, PAN Zai-fa, MA Chun-an
		DOI: 10.3964/j.issn.1000-0593(2013)09-2433-05
		Surface-enhanced Raman scattering (SERS) of thiosalicylic acid (TSA) with sulfydryl group was investigated on the surface of electrochemically roughed silver electrode. The result shows that SERS enhancement effect was relative to the concentration and pH, and 1×10^-3 mol·L^-1 and pH 4 were the optimal condition. While the concentration increased, the enhancement effect decreased quickly because of steric hindrance. S—Ag peak position by the absorption of TSA was basically consistent, but pH significantly affected its intensity. The distribution and mechanism of TSA at different pH were further investigated. It was showed that TSA was adsorbed on the active silver surface via the sulfydryl group without H of neutral C₆H₄(COOH)SH molecule. Competitive adsorption of negative valence C₆H₄(COO^-)SH and OH^- may bring non-SERS under the strong base condition. At the same time, the sulfydryl group significantly influenced the carboxyl vibration peak’s change and the distribution of electron cloud of benzene ring conjugate system.
		2013 Vol. 33 (09): 2433-2437 [Abstract] ( 806 ) PDF (2371 KB) ( 408 )

	2438	Quantitative Detection of Ethyl Paraoxon Based on SERS and PCA-SLR
		WENG Shi-zhuang^{1, 2}, CHEN Sheng^{1, 2}, ZENG Xin-hua², LI Pan^{1, 2}, ZHENG Shou-guo², YOU Ju-jun^{1, 2}, LI Miao^2*, ZHU Ze-de^{1, 2}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2438-05
		In the present paper, the surface-enhanced Raman spectroscopy (SERS) was used to build the model for the quantitative detection of ethyl paraoxon by the principal component analysis and segmented linear regression (PCA-SLR). Firstly, SERS in 820～1 630 cm^-1 of ethyl paraoxon solution were measured and the spectra in 820～1 630 cm^-1 (complete range) and 845～875 cm^-1 (characteristic range) of ethyl paraoxon solution were preprocessed by standard normal transformation (SNV), multiplicative scatter correction (MSC), the absolute values of first derivative and the second derivative respectively. Additionally, the number of dimensions of the spectra was reduced by PCA. Finally, the models were established by SLR. It was found that the model developed with MSC preprocessed spectroscopy of characteristic range performed best (RMSEP: 0.33) by comparing the predictive accuracy of the different models. The result could meet with the needs in the quantitative detection of ethyl paraoxon.
		2013 Vol. 33 (09): 2438-2442 [Abstract] ( 795 ) PDF (2266 KB) ( 342 )

	2443	The Method of Phytoplankton Photosynthesis Activity In-Situ Measurement Based on Light Induced Fluorescence
		LIU Jing^1，2, LIU Wen-qing², ZHAO Nan-jing^2*, ZHANG Yu-jun², MA Ming-jun², YIN Gao-fang², DAI Pang-da², WANG Zhi-gang², WANG Chun-long², DUAN Jing-bo², YU Xiao-ya², FANG Li²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2443-05
		According to the phytoplankton fluorescence induction characteristics under different light conditions, chlorophyll fluorescence as a probe for analysis of phytoplankton photosynthesis was studied. The present paper proposed a in-situ measurement method based on the chlorophyll fluorescence values F_t and F_m to get phytoplankton photosynthesis activity, Chlorella vulgaris, microcystis aeruginosa and Cyclotella meneghiniana Kiits were selected as experimental subjects, a comparison test was done between self-developed in-situ measurement system and Water PAM in lab, and The results showed that coefficients between the two methods were 0.977 8, 0.878 6 and 0.795 3. This work provides a rapid and in-situ measurement method for phytoplankton photosynthesis activity.
		2013 Vol. 33 (09): 2443-2447 [Abstract] ( 1001 ) PDF (1889 KB) ( 420 )

	2448	Laser Induced Fluorescence Spectrum Characteristics of Common Edible Oil and Fried Cooking Oil
		MU Tao-tao, CHEN Si-ying^*, ZHANG Yin-chao, CHEN He, GUO Pan, GE Xian-ying, GAO Li-lei
		DOI: 10.3964/j.issn.1000-0593(2013)09-2448-03
		In order to detect the trench oil the authors built a trench oil rapid detection system based on laser induced fluorescence detection technology. This system used 355 nm laser as excitation light source. The authors collected the fluorescence spectrum of a variety of edible oil and fried cooking oil (a kind of trench oil) and then set up a fluorescence spectrum database by taking advantage of the trench oil detection system. It was found that the fluorescence characteristics of fried cooking oil and common edible oil were obviously different. Then it could easily realize the oil recognition and trench oil rapid detection by using principal component analysis and BP neural network, and the overall recognition rate could reach as high as 97.5%. Experiments showed that laser induced fluorescence spectrum technology was fast, non-contact, and highly sensitive. Combined with BP neural network, it would become a new technique to detect the trench oil.
		2013 Vol. 33 (09): 2448-2450 [Abstract] ( 901 ) PDF (1485 KB) ( 754 )

	2451	Extraction and Analysis of Solar-Induced Chlorophyll Fluorescence of Wheat with Ground-Based Hyperspectral Imaging System
		WANG Ran^{1, 2, 3}, LIU Zhi-gang^{1, 2, 3*}, FENG Hai-kuan⁴, YANG Pei-qi^{1, 2, 3}, WANG Qing-shan^{1, 2, 3}, NI Zhuo-ya^{1, 2, 3}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2451-04
		Dataset simulated with FluorMOD and images of wheat in heading stage taken by a ground-based hyperspectral imaging system with 3.3 nm spectral resolution and 0.71~0.74 nm spectral sampling interval were used test the feasibility and accuracy of three FLD methods (named FLD, 3FLD and iFLD). The results show that when spectral resolution is 3.3 nm, solar-induced chlorophyll fluorescence could be extracted effectively in O₂-A band (around 760 nm) instead of O₂-B band (around 687 nm). As to the extraction results of data with noises, both FLD and 3FLD are stabler than iFLD method. The results of FLD tend to be higher than true value.
		2013 Vol. 33 (09): 2451-2454 [Abstract] ( 884 ) PDF (1751 KB) ( 782 )

	2455	Rhodamine-Triazine Fluorescence Probe Recognition for Al³⁺ and Cr³⁺
		CHEN Yi¹, ZHANG Yan¹, ZENG Xi¹, MU Lan^1*, LI Jun¹, SUN Qiang¹, WEI Gang²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2455-05
		A symmetrical rhodamine-triazine derivative was synthesized through step-by-step substitution of rhodamine B ethylenediamine with two chlorines on cyanuric chloride. It showed an extreme selectivity for Al³⁺ and Cr³⁺ over other common metal ions and strong fluorescence emission and UV-Visible absorption in the ethanol solution of pH 4. Due to the difference in complexing ability, the recognition of the derivative for Al³⁺ and Cr³⁺was not interfered by other coexisting ions. Under certain conditions, the derivative can be used as high selectivity and high sensitivity Al³⁺ or Cr³⁺ fluorescence and colorimetric enhanced probe.
		2013 Vol. 33 (09): 2455-2459 [Abstract] ( 849 ) PDF (2654 KB) ( 385 )

	2460	Characterization of Dissolved Organic Matter in Groundwater from the Coastal Dagu River Watershed, China Using Fluorescence Excitation-Emission Matrix Spectroscopy
		WANG Chao, GUO Wei-dong, GUO Zhan-rong^*, WEI Jia, ZHANG Bin, MA Zhi-yong
		DOI: 10.3964/j.issn.1000-0593(2013)09-2460-06
		The fluorescent properties of dissolved organic matter (DOM) from groundwater in the coastal Dagu River watershed, North China were determined using excitation-emission matrix spectroscopy (EEMs) analysis. Surface water DOM samples were also investigated for comparison. Two humic-like components (C1: 250, 355/472 nm; C2: < 240, 325/400 nm) and one protein-like component (C3: <240, 280/340 nm) were identified using parallel factor analysis. Low intensities for all components were observed in groundwater DOM from the upper and lower reaches of the study area. However, higher abundances of these components occurred in the middle reaches, reflecting the combined effect of seepage of surface water with strong anthropogenic pollution and the alteration of groundwater circulation due to cutoff as a result of the construction of a cutoff wall since the late 1990s. The humic-like components were dominant in groundwater DOM, with the average percentage of the protein-like component being only 15%, which was less than half of the corresponding percentage in surface water DOM. The freshness index in groundwater DOM was lower than the surface water samples, while the fluorescence index and humification index were higher than in the latter. These indices demonstrated the much higher degree of humification for groundwater DOM, which may be related to the longer residence time of groundwater and greater contribution of microbial degradation in the aquifer environment. This study demonstrated that EEMs could distinguish between the effects of natural background and human activities on the quantity and characteristics of the groundwater DOM, and thus could be a useful tool for studing the carbon dynamics and the controlling factors in groundwater systems.
		2013 Vol. 33 (09): 2460-2465 [Abstract] ( 806 ) PDF (2484 KB) ( 707 )

	2466	Research on Parameters of Dynamic Colorimetric Temperature Sensor and It’s Application to Fuel Air Explosion Temperature Field Detection
		LI Lei, LIU Qing-ming^*, WANG Jian-ping
		DOI: 10.3964/j.issn.1000-0593(2013)09-2466-06
		According to the theory of colorimetric thermometry，the influences of center wavelength, wavelength bandwidth and solid angle on response speed and the precision of the sensor was analyzed systematically，and the operating parameters for transient high temperature measurement system were determined. A calculation method based on photoelectric conversion coefficient, and higher and lower operating wavelength of the colorimetric temperature sensor was given. At the optimal operating temperature，calibration experiment was conducted in a high temperature blackbody furnace. Based on the experimental results，the operating parameters of the sensor were determined and the colorimetric temperature response was calculated. The results show that the errors between the calculated response and the experiment one are less than 1%. By using the colorimetric temperature sensor，the temperature response of fuel air explosion field was detected and the variations of temperature with time and space in detonation field were obtained.
		2013 Vol. 33 (09): 2466-2471 [Abstract] ( 792 ) PDF (2316 KB) ( 338 )

	2472	Forest Fire Division by Using MODIS Data Based on the Temporal-Spatial Variation Law
		HE Cheng^{1, 2}, GONG Yin-xi³, ZHANG Si-yu¹, HE Teng-fei², CHEN Feng², SUN Yu², FENG Zhong-ke^2*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2472-06
		Forest fires are harmful to the ecological environment, which have induced global attention. In the present paper fire activities extracted from MODIS and burned areas were compared, and it was found that the wave band of 8～9 extracted from MOD14A1 was useful for fire monitoring, and the data accorded with field investigation with goodness of fit reaching up to 0.83. Through combining this wave band and the relative data to make the time and space analysis of the forest fires for 11 years, from 2000 to 2010, the study showed that the fire occurred most frequently in the spring, the autumn took the second place, and in the summer there was almost no fire occurrence unless drought. Through the analysis of the research area, the burned areas of the coniferous forest and temperate mixed forest were 53.68% and 44%, respectively, while the grassland was only 2.32%. Da Hinggan Ling region was the main combustion area, the burned areas were 64.7% and that for Xiao Hinggan Ling was about 23.49%, while those for other areas were less than 5%. The majority of forest land of burned areas has a gentle slope (≤5°), and is in the middle altitude between 200 and 500 m. So, using satellite remote sensing to analyze the time series of burned areas in forests would make the relationship between the fire activities, climate change, topography and vegetation type clear and it is also helpful to predicting the risk level of the fire areas.
		2013 Vol. 33 (09): 2472-2477 [Abstract] ( 865 ) PDF (4149 KB) ( 415 )

	2478	Research on Engine Remaining Useful Life Prediction Based on Oil Spectrum Analysis and Particle Filtering
		SUN Lei¹, JIA Yun-xian¹, CAI Li-ying², LIN Guo-yu¹, ZHAO Jin-song^{1, 3}
		DOI: 10.3964/j.issn.1000-0593(2013)09-2478-05
		The spectrometric oil analysis(SOA) is an important technique for machine state monitoring, fault diagnosis and prognosis, and SOA based remaining useful life(RUL) prediction has an advantage of finding out the optimal maintenance strategy for machine system. Because the complexity of machine system, its health state degradation process can’t be simply characterized by linear model, while particle filtering(PF) possesses obvious advantages over traditional Kalman filtering for dealing non-linear and non-Gaussian system, the PF approach was applied to state forecasting by SOA, and the RUL prediction technique based on SOA and PF algorithm is proposed. In the prediction model, according to the estimating result of system’s posterior probability, its prior probability distribution is realized, and the multi-step ahead prediction model based on PF algorithm is established. Finally, the practical SOA data of some engine was analyzed and forecasted by the above method, and the forecasting result was compared with that of traditional Kalman filtering method. The result fully shows the superiority and effectivity of the new method.
		2013 Vol. 33 (09): 2478-2482 [Abstract] ( 751 ) PDF (1899 KB) ( 367 )

	2483	Observation of the Pollen Mother Cell Meiosis of Male Sterile Line in Rice by Using Confocal Microscopy
		ZHANG Jia-jia, DAI Xi-mei^*, ZHAO Shuai-peng, LIU He-mei, HUANG Qun-ce, JIAO Zhen
		DOI: 10.3964/j.issn.1000-0593(2013)09-2483-05
		In the present paper, meiosis of male sterile pollen mother cells and fertility of ripened pollen was observed in male sterile line (Xindao97200A) by using laser scanning confocal microscopy (LSCM), beside, the seed setting rate of selfing and artificial pollination was investigated. Abnormal chromosome behaviors during the meiosis of PMC were found with 15.8%, which included lagging chromosome, dragging chromosomes, three poles of spindles, chromosome bridge, micronuclei and asynchrony of the dyad. Typical, spherical and stained abortive rates were 6.15%, 10.26% and 80.77%, respectively. The pollen abortion might be attributed to abnormal pollen development, which resulted from chromosome pairing abnormally, abnormal division, chromosome breakage and unevenly distributed cytoplasm.
		2013 Vol. 33 (09): 2483-2487 [Abstract] ( 745 ) PDF (1920 KB) ( 430 )

	2488	Analysis of the Association between Cellulose and Lignin by Carbon 13 Tracer Method
		XIANG Song-ming, XIE Yi-min^*, YANG Hai-tao，YAO Lan
		DOI: 10.3964/j.issn.1000-0593(2013)09-2488-04
		In order to further understand the association between cellulose and lignin in gymnosperm plant, carbohydrate part of the lignin-carbohydrate complexes was analyzed. Cellulose precursor i.e.(6-¹³C)uridine diphoshphate glucose, was synthesized, and injected into a living ginkgo tree with lignin inhibitor AOPP and exogenous lignin precursor. The results from the determination of ¹³C abundance indicate that the deposition of cellulose in the cell wall is very fast and effective in the primary wall. The analysis of high resolution solid nuclear magnetic ¹³C NMR spectra confirms that the bonds between C₆ position of glucose units in cellulose and α-carbons of lignin side chain are benzyl ether linkage.
		2013 Vol. 33 (09): 2488-2491 [Abstract] ( 842 ) PDF (1718 KB) ( 439 )

	2492	Effect of Protein on the Detection of Antipsychotic Drug Residues in Human Serum and Its Elimination
		WANG Cui-xia, ZHANG Xing-mei, LI Gui-zhi, LIU Yong-ming^*, LIU Zhen-bo
		DOI: 10.3964/j.issn.1000-0593(2013)09-2492-04
		Using pure human serum albumin (HSA) as the model protein, the effects of protein on the extraction of antipsychotic drugs (APDs: diazepam, chlorpromazine hydrochloride, and perphenazine) in human serum sample were studied. The present paper investigated the interaction between APDs and HSA by fluorescence spectrometry in detail. The influences of different ethanol concentration solution on protein denaturation were studied by Rayleigh scattering. The results showed that APDs strongly bound with HSA. In the φ(ethanol) 80% extracting solution, a slow but full protein denaturation takes place, which causes the unfolding of protein and the dissociation of drugs. Then K₂HPO₄ was added into the extracting solution to form aqueous two-phase system, and meanwhile the drug residues were extracted into upper phase with high extraction efficiencies. After filtration, the upper phase was ready for analysis of drug residues by HPLC system. The detection limits were in the range of 18.8~38.4 ng·mL^-1, and the spiked recovery was 94.2%~98.7% for determination of antipsychotic drugs in human serum. The method is efficient, solvent-saving, environment-friendly, and accurate.
		2013 Vol. 33 (09): 2492-2495 [Abstract] ( 826 ) PDF (1821 KB) ( 374 )

	2496	Harmonic Analysis Fusion of Hyperspectral Image and Its Spectral Information Fidelity Evaluation
		YANG Ke-ming, ZHANG Tao, WANG Li-bo, QIAN Xiao-li, WANG Lin-wei, LIU Shi-wen
		DOI: 10.3964/j.issn.1000-0593(2013)09-2496-06
		Combined with the Hyperion hyperspectral image and ALI high spatial resolution band of the EO-1 satellite, the paper puts forward the harmonic analysis fusion (HAF) algorithm of hyperspectral image and the derivative spectral d-value’s information entropy (DSD-IE) model of the spectral-fused information fidelity evaluation. Through calculating and evaluating some parameters such as the DSD-IE values, average gradient and standard deviation of the sample spectra meanwhile compared with the fused hyperspectral images by the traditional methods like the principal component analysis (PCA), Gram-Schmidt and wavelet, the fused hyperspectral iamge by the HAF has proved to have the higher information degree of spatial integration and spectral fidelity, and the better superiorities in the reliability, accuracy and applicability.
		2013 Vol. 33 (09): 2496-2501 [Abstract] ( 883 ) PDF (3277 KB) ( 466 )

	2502	Solvent Effect of Europium(Ⅲ) Complex Sensitized by Charge Transfer Excited State of Functional Cation
		FU Shi-rong, SHI Meng^*, HAN Pei-gao, ZHANG Bei-bei, YAN Ke-zhu
		DOI: 10.3964/j.issn.1000-0593(2013)09-2502-04
		In the novel europium(Ⅲ) complex of the form [Eu(tta)₄·DEASPI], the sensitization of lanthanide luminescence is via functional cation. The photophysical sensitization process of Eu(tta)₄·DEASPI involves an energy transfer from charge transfer excited state of hemicyanine (aminostyrylpyridinium) cation, and the sensitization mechanism follows Förster resonance energy mechanism. The solvent effect on this new kind of europium(Ⅲ) complex was investigated in the present work. The europium(Ⅲ) complex was dissolved in a variety of solvents, i.e. acetone, DMF, ethanol and acetonitrile, and the emission intensity of europium(Ⅲ) complex in acetonitrile is much higher than in other solvents. The detailed discussion about solvent effect is provided in this paper.
		2013 Vol. 33 (09): 2502-2505 [Abstract] ( 837 ) PDF (1642 KB) ( 377 )

	2506	Analysis of Directional Reflectance Properties of Lake Taihu Using Multi-Angle Measurements
		LI Jun-sheng¹, ZHANG Bing^1*, SHEN Qian¹, ZHANG Hao¹, ZHANG Fang-fang^{1, 2}, WANG Qiao³
		DOI: 10.3964/j.issn.1000-0593(2013)09-2506-06
		The optical field above water is not isotropic. It is important to study the directional reflectance properties of the optical field above water, which is useful for building water quality parameters retrieving models by remote sensing. The bidirectional reflectance distribution function above oceanic waters has been well studied. However, the bidirectional reflectance distribution function above inland waters is still unresolved. The in-situ measured multi-angle remote sensing reflectance above water provides valuable data for studying directional reflectance properties above water. Unfortunately, such data is almost unavailable for inland waters due to the lack of of feasible instrument. Therefore, the authors designed and manufactured a specialized device to measure in situ multi-angle remote sensing reflectance involving with a spectrometer. We carried out an experiment in Lake Taihu to measure in situ multi-angle remote sensing reflectance data with this device. Then, we analyzed the directional properties of the remote sensing reflectance above water surface of Lake Taihu, and their effects on building water quality parameters retrieving models by remote sensing. Finally, we proposed a strategy for building water quality parameters retrieving models, which could reduce the directional effects of the optical field above inland waters.
		2013 Vol. 33 (09): 2506-2511 [Abstract] ( 970 ) PDF (2509 KB) ( 432 )

	2512	Responding Relationship between Endogenous Hormones and Hyperspectra Reflectance for the Different Flowering Stages of the Giant Panda’s Staple-Food Bamboos in Qinling
		LIU Xue-hua^1，2*, WU Yan^2，3
		DOI: 10.3964/j.issn.1000-0593(2013)09-2512-07
		The present research aims at utilizing hyperspectra information to estimate the content of endogenous hormones for predicting the bamboo flowering. The authors selected the giant panda’s staple-food bamboos Bashania fargesii，Fargesia qinlingensis and Fargesia dracocephala in different flowering situations to measure their hyperspectral reflectance in Foping Nature Reserve. The enzyme-linked immunosorbent assay was used to measure the contents of four endogenous hormones: Gibberellin (GA3), Auxin (IAA), Zeatin nucleotide (Zr) and Abscisic acid (ABA), and non-parametric test was applied to analyze their differences. Then, we built the responding relationship models between hormones and hyperspectral reflectance. The results showed that (1) GA3 contents of B. fargesii and F. dracocephala were higher in the flowering bamboo than in the non-flowering bamboo, while F. qinlingensis showed the opposite result; IAA and ABA contents of three bamboos were all lower in non-flowering bamboo than in the flowering one; Zr contents for three bamboo species were higher in the non-flowering bamboo than in the flowering one. (2) Except that B. fargesii’s IAA and Zr had significant relationships with original spectral reflectance among some bands, other hormones of bamboos all showed the poor relationships with the original spectra; however, some specific bands of all four hormones of three bamboos had the very significant relationships with the first derivative reflectance. (3) The precisions of linear models were higher than the Parabola models. The authors concluded that the close relationships between the hormones’ contents and spectra reflectance can be used to forecast the flowering of panda bamboos.
		2013 Vol. 33 (09): 2512-2518 [Abstract] ( 856 ) PDF (4387 KB) ( 452 )

	2519	An Improved N-FINDR Endmember Extraction Algorithm Based on Manifold Learning and Spatial Information
		TANG Xiao-yan^{1, 2}, GAO Kun^1*, NI Guo-qiang¹, ZHU Zhen-yu¹, CHENG Hao-bo¹
		DOI: 10.3964/j.issn.1000-0593(2013)09-2519-06
		An improved N-FINDR endmember extraction algorithm by combining manifold learning and spatial information is presented under nonlinear mixing assumptions. Firstly, adaptive local tangent space alignment is adapted to seek potential intrinsic low-dimensional structures of hyperspectral high-diemensional data and reduce original data into a low-dimensional space. Secondly, spatial preprocessing is used by enhancing each pixel vector in spatially homogeneous areas, according to the continuity of spatial distribution of the materials. Finally, endmembers are extracted by looking for the largest simplex volume. The proposed method can increase the precision of endmember extraction by solving the nonlinearity of hyperspectral data and taking advantage of spatial information. Experimental results on simulated and real hyperspectral data demonstrate that the proposed approach outperformed the geodesic simplex volume maximization (GSVM), vertex component analysis (VCA) and spatial preprocessing N-FINDR method (SPPNFINDR).
		2013 Vol. 33 (09): 2519-2524 [Abstract] ( 893 ) PDF (2308 KB) ( 392 )

	2525	Airborne Validation of Ground-Object Detection from Polarized Neutral-Point Atmosphere
		YANG Shang-qiang^1,2, GUAN Gui-xia¹, ZHAO Hai-meng², ZHAO Hong-ying², YANG Bin², ZHANG Wen-kai^1,2, TAN Xiang^2,4, WU Tai-xia³, YAN Lei^2*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2525-07
		Based on the objects polarization effects, polarization is a newly emerging method in the field of remote sensing. Both objects and atmosphere have polarization effects, however, the atmospheres polarization effects are much stronger than that of objects. Consequently, atmosphere polarization effects will interfere or even cover objects when observing with sensors. How to maximally eliminate the polarized effects generated by the atmosphere is a crucial problem in polarization remote sensing. Atmospheric neutral point is an area where the degree of atmosphere polarization is near to zero; therefore, if sensors are set up in this area, atmosphere polarization would be greatly eliminated, which is the main content of separating the effects between objects and atmosphere by its neutral point method. In this paper, after processing and analyzing the experimental data got from the first polarization remote sensing flight experiment with atmosphere neutral point, the degree of polarization images captured in neutral and non-neutral point area were obtained, and it can be seen that the main value of polarized degree of images got in neutral point area was obviously smaller than that in non-neutral point area. The results showed that the theory mentioned above was logical and practical. An innovation in our study is that the requirements needed in polarization remote sensing flight with neutral point were clarified. In the meantime, a qualitative conclusion was drawn that observing with longer wavelength is more applicable to polarization remote sensing.
		2013 Vol. 33 (09): 2525-2531 [Abstract] ( 810 ) PDF (6204 KB) ( 311 )

	2532	Theoretical Study on Nuclear Magnetic Resonance Spectra of the Four Kinds of Curcumin Analogues
		JIA Fei-yun¹, RAN Ming², SU Yu¹, ZHU Jiang¹, ZHANG Bo^1*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2532-04
		The structure of four kinds of curcumin analogues was optimized at the level of B3LYP/6-31G(d,p), under which the stability was verified by means of vibration analysis. Moreover, NMR spectra of curcumin analogues compounds were studied at the level of B3LYP/6-311G(d,p) by GIAO method. The results show that the structure of four kinds of compounds, a larger conjugated system, has good planarity. Because of introducing hydroxyl and methoxy, the compound-B/C/D-C₃, C₄ and compoud-A and compound-D-C₅ have greater δ value. δ value of compound-A-C₄. C₆ is relatively smaller, and δ value of C₃ is relatively larger. In the conjugated carbonyl compounds, compared with the acetaldehyde δ value (201 ppm), carbonyl C₁₃ δ value(183 ppm) decreases relatively, C_{11, 15}(α-carbon) δ value(122 ppm) decreases relatively, and C_9,17(β-carbon) δ value(145 ppm) increases relatively. Finally, the correlation between experimental δ value and theoretical δ value of the ¹H NMR was analyzed through the linear regression method. Results show that they have good correlation, and the experimental values coincide with the theoretical values.
		2013 Vol. 33 (09): 2532-2535 [Abstract] ( 824 ) PDF (1704 KB) ( 437 )

	2536	The Noninvasive Measurement Research of Human Blood Parameters under Flow Control of Time Gate
		WU Jin-peng¹, SUN Mei-xiu^1*, KANG Mei-ling¹, LI Gang², LI Ying-xin¹
		DOI: 10.3964/j.issn.1000-0593(2013)09-2536-05
		In order to further improve the noninvasive measurement precision of human blood components and achieve clinical requirements, we propose a new measurement method based on the dynamic dual wavelength time-resolved transmittance measurement, combined with the advanced time gate technology and Laplasse transform to detect human blood components noninvasively in the blocked blood flow conditions. Simulation results show that when p＞0, emphasizing the importance of early arriving photons contribution can enhance the detection sensitivity of human body blood parameters.
		2013 Vol. 33 (09): 2536-2540 [Abstract] ( 760 ) PDF (1951 KB) ( 353 )

	2541	Estimation of Winter Wheat Protein Content Based on New Indexes
		JIN Xiu-liang^{1, 2, 3}, XU Xin-gang^{2, 3}, LI Zhen-hai^{2, 3}, WANG Qian^{2, 3}, WANG Yan^{1, 2, 3}, LI Cun-jun^{2, 3}, WANG Ji-hua^2*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2541-05
		Wheat protein content is an important indicator often employed in wheat sale price. Spectral indexes and concurrent winter wheat protein content (WWPC) samples were obtained across three years. Data from 2008/2009 and 2009/2010 were utilized to build the new ratio indexes and product indexes, and then selected grey relational method and partial least squares method were used to improve the estimation accuracy of WWPC, data from 2011/2012 was utilized to validate model. The results showed that the correlation coefficients between ratio indexes and WWPC were better than that between single indexes and WWPC. The r of single indexes and ratio indexes were 0.726 and 0.751, respectively, and the product indexes were used to improve the parts of single indexes. The estimation accuracy of WWPC was improved by using GRA-PLS, the determination coefficients (R²) of single indexes, ratio indexes and product indexes were 0.537, 0.631 and 0.521, respectively, and corresponding root mean square errors (RMSE) were 0.665%, 0.564% and 0.574%, respectively. The results indicated that it was feasible to estimate WWPC by building new ratio indexes and product indexes, and then applying the GRA-PLS.
		2013 Vol. 33 (09): 2541-2545 [Abstract] ( 887 ) PDF (1311 KB) ( 387 )

	2546	Inversion of Leaf Area Index during Different Growth Stages in Winter Wheat
		ZHAO Juan^{1, 2}, HUANG Wen-jiang^1*, ZHANG Yao-hong², JING Yuan-shu²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2546-07
		Being orientated to the low prescion of crop leaf area index (LAI) inversion using the same spectral vegetation index during different crop growth stages, the present paper analyzed the precision of LAI inversion by employing NDVI(normalized difference vegetation index). Ten vegetation indices were chosen including six broad-band vegetation indices and four narrow-band vegetation indices responding to vegetation cover to inverse LAI in different growth stages. Several conclusions were drawn according to the analysis. The determinant coefficient (R²) and root mean square error(RMSE) between LAI inversion value and true value were 0.558 5 and 0.320 9 respectively during the whole growth duraton. The mSR(modified simple ratio index) index was appropriate to inverse of LAI during earlier growth stages (before jointing stage) in winter wheat. The R² and RMSE between LAI inversion value and true value were 0.728 7 and 0.297 1 respectively. The SR(simple ratio index) index was suitable enough to inverse of LAI during medium growth stages (from joingting stagess to heading stagess). The R² and RMSE between LAI inversion value and true value were 0.654 6 and 0.306 1 respectively. The NDVI(normalized difference vegetation index) index was proven to be fine to inverse LAI during later growth stages(from heading stage to ripening stage). The R² and RMSE between LAI inversion value and true value were 0.679 4 and 0.316 4 respectively. Therefore it was indicated that the results of LAI inversion was much better inverse of winter wheat LAI choosing different vegetation indices during differen growth stages for winter wheat according to the change of vegetation cover and canopy reflectance than merely with NDVI to inverse LAI in the whole growth stages. It was concluded that the precision of LAI inversion was significantly improved with segmented models based on different vegetation indices.
		2013 Vol. 33 (09): 2546-2552 [Abstract] ( 826 ) PDF (2040 KB) ( 475 )

	2553	Simultaneous Determination of 6 Neonicotinoid Residues in Soil Using DLLME-HPLC and UV
		SUN Bao-li, SHAN Hong, LI Yan-hua, ZENG Ya-ling, SHEN Xiu-li, TONG Cheng-feng
		DOI: 10.3964/j.issn.1000-0593(2013)09-2553-05
		A simple, cheap and rugged method was developed for simultaneous deter mination of 6 neonicotinoid residues in soil, including imidacloprid, acetamiprid, thiamethoxam, thiacloprid, clothianidin and nitenpyram. The soil sample was produced by dispersive liquid-liquid micro-extraction (DLLME) after extracted by the mixed solution of acetonitrile and CH₂Cl₂ (2∶1, φ). The analytes were separated by HPLC with Alltima ^TMC₁₈ column (4.6 mm×250 mm，5 μm) and detected by PDA at 260 nm. External standard method was used for quantification. The results showed that good linearity was obtained with correlation coefficients between 0.998 2 and 0.999 9 in the range of 0.5～200 μg·L^-1. The limits of detection (LODs) were in the range between 0.000 5 and 0.003 μg· mL^-1(S/N=3). The method was validated with five soil samples spiked at three fortification levels (0.05, 0.1, 1.0 mg·kg^-1) and recoveries were in the range of 55.3%～95.6% with RSD of 1.4%～7.0%. The effect of clean-up was evaluated by UV spectra and demonstrated that the method established is effective. In conclusion, this method is competent for the simultaneous analysis of 6 neonicotinoid residues in soil.
		2013 Vol. 33 (09): 2553-2557 [Abstract] ( 837 ) PDF (1997 KB) ( 485 )

	2558	Laser Ignition Assisted Spark-Induced Breakdown Spectroscopy for Element Analysis of Aluminum Alloy with Enhanced Sensitivity
		PENG Fei-fei, ZHOU Qi, CHEN Yu-qi^*, LI Run-hua
		DOI: 10.3964/j.issn.1000-0593(2013)09-2558-04
		The analytical performance of laser ignition assisted spark-induced breakdown spectroscopy (LI-SIBS) for the analysis of trace metal in aluminum alloy was reported in the present article. In order to improve the analytical performance of spark-induced breakdown spectroscopy, a low energy laser pulse was focused on the surface of the sample to produce plasma between discharge electrodes to trigger high voltage spark discharge. Under current geometrical arrangement, optimized discharge voltage and capacitance were determined, and copper in aluminum alloy was analyzed under optimized experimental condition. The limit of detection of copper in aluminum alloy was determined to be 0.7 ppm. Both signal stability and measurement accuracy for spark-induced breakdown spectroscopy were improved with the assistance of laser ignition. The discharge voltage could be reduced and the spatial resolution could be improved with the assistance of laser ignition at the same time. It was demonstrated that LI-SIBS has the characteristics of high sensitivity, good stability and better spatial resolution and is suitable for trace elements analysis in different alloys.
		2013 Vol. 33 (09): 2558-2561 [Abstract] ( 847 ) PDF (1736 KB) ( 428 )

	2562	Optical Emission Spectroscopy of MPCVD Plasma
		MA Zhi-bin, WU Jian-peng^*, TAO Li-ping, CAO Wei, LI Guo-wei, WANG Jian-hua
		DOI: 10.3964/j.issn.1000-0593(2013)09-2562-04
		The plasma of CH₄/H₂ was diagnosed with optical emission spectroscopy on a high-pressure microwave plasma apparatus at 2.45 GHz. The existing radicals in the plasma and the influence of the methane concentration on radical concentration and distribution were researched. The results indicate that the radicals of CH，H_α，H_β，H_γ，C₂ and little impurity atom Mo exist in the plasma. The intensity of emission spectrum of the radicals increases with the increase in the methane concentration, especially the intensity of C₂ has a notable increase. The ratio of the intensity of the CH to H_α is unchanging with the increase in methane concentration, while that of C₂ to H_α has a marked increase. The uniformity of the space distribution of the radicals becomes worse with the increase in methane concentration.
		2013 Vol. 33 (09): 2562-2565 [Abstract] ( 768 ) PDF (2047 KB) ( 403 )

	2566	A Triple-Wavelength Visible Spectroscopic Method for Determination of Iron Content in Lignocellulosic Materials
		CHEN Hai-xiang¹, HU Hui-chao¹, ZENG Jia-xin², ZHOU Ying-hong², CHAI Xin-sheng^1,3*
		DOI: 10.3964/j.issn.1000-0593(2013)09-2566-04
		The present paper described a triple-wavelength visible spectroscopic method for the determination of iron content in lignocellulosic materials. After the sample was pretreated with acidic hydrolysis method under selected conditions, the color agent, 1,10-phenanthroline monohydrate, was added in the filtrate and then measured by a triple-wavelength spectroscopic method at wavelengths of 416, 510 and 700 nm, from which the iron contents of the sample can be calculated. The results showed that this method can efficiently deduct the influences of acidic soluble lignin and furfural compounds generated during the sample pretreatment and baseline drift caused by the tiny particles in the filtrates. It not only has a good measurement precision but also is accurate, in which the relative differences of the results obtained by the present method and ICP-OES method is less than 5%. The method is simple and practical, and suitable for industrial applications.
		2013 Vol. 33 (09): 2566-2569 [Abstract] ( 932 ) PDF (1553 KB) ( 394 )

	2570	Determination of Aqueous Potassium and Sodium Ions with Liquid-Phase Diaphragm Glow Discharge-Atomic Emission Spectrometry
		LIU Yong-jun¹, WANG Lei²
		DOI: 10.3964/j.issn.1000-0593(2013)09-2570-04
		The present paper described the determination of potassium and sodium ions with a liquid-phase diaphragm glow discharge emission spectroscopy (LDGD-AES) in aqueous solution. The discharge was formed in a pin hole on a dielectric diaphragm interposed between two submerged graphite electrodes. Effects of applied voltage and the addition of organic additive methanol on the determination were examined. It was found that increasing the applied voltage and adding of methanol can increase the detection sensitivity and decrease the detection limit. Limits of detection for K and Na were 0.007 and 0.001 mg·L^-1 under the applied voltage of 850 V and addition of 0.6%～0.8% methanol, respectively. It was demonstrated that the LDGD-AES is a promising technique in measurements of metal ions in aqueous solution, because no optical interferences from the electrodes and the background molecular bands from air were found.
		2013 Vol. 33 (09): 2570-2573 [Abstract] ( 842 ) PDF (1807 KB) ( 370 )

	2574	Comparison of Texture Distribution of Cold Rolled DC and CC AA 5052 Aluminum Alloy at Different Positions through Thickness Direction by XRD
		CHEN Ming-biao^{1, 2}, MA Min¹, YANG Qing-xiang¹, WANG Shan², LIU Wen-chang^1*, ZHAO Ying-mei³
		DOI: 10.3964/j.issn.1000-0593(2013)09-2574-05
		To provide gist of DC AA 5052 and CC AA 5052 aluminum alloy to industry production and application, the texture variation of cold rolled sheets through thickness direction was studied by X-ray diffraction method, and the difference in texture at surface, quarter and center layer was analyzed. The hot plates of direct chill cast (DC) AA 5052 and continuous cast (CC) AA 5052 aluminum alloy were annealed at 454 ℃ for 4 hours and then cold rolled to different reductions. The strength and volume fraction of the fiber in CC AA 5052 aluminum alloy is larger than in DC AA 5052 aluminum alloy after same rolling reduction. The volume fraction of the recrystallization texture cube in the CC AA 5052 aluminum alloy is less than in the DC AA 5052 aluminum alloy, which result in that CC AA 5052 aluminum alloy needs less cold rolling reduction than DC AA 5052 aluminum alloy for generating the texture with same intensity and volume fraction at surface layer, quarter layer and center layer. The manufacturability and performance of CC AA 5052 aluminum alloy is superior to DC AA 5052 aluminum alloy for use in stamping.
		2013 Vol. 33 (09): 2574-2578 [Abstract] ( 724 ) PDF (2041 KB) ( 368 )

	2579	Concentration Levels and Sources Analysis of Additives Element in Engine Oil
		WANG Hao, LIN Zhen-xing, WU Bei-lei
		DOI: 10.3964/j.issn.1000-0593(2013)09-2579-04
		The present article adopts wavelength-dispersive X-ray fluorescence spectrometry to measure elements of P, S and Cl in 98 engine oil samples from America, Germany and Japan and including SM, SN, CI and CH API grade. Proportional relationship of Zn/P, S/Mo and Ca/Mg illustrated the correlation between experimental data and additive contents. The experiment indicates that the concentration levels of Zn, P, Ca, S, Mg and Mo were 0.09%~0.17%，0.07%~0.15%，0.13%~0.43%，0.20%~0.47%，0.04%~0.15% and 0.01%~0.05% respectively, among which the Ca，S，P and Zn were the main elements of engine oil, Mg and Mo exist in high quality level engine oil, while Nb, W, Ti and Na were present in individual engine oil.
		2013 Vol. 33 (09): 2579-2582 [Abstract] ( 703 ) PDF (1739 KB) ( 387 )

	2583	Research on the Peak Search Method Based on Improved Simulated Annealing Model for X-Ray Fluorescence Spectrum
		ZENG Guo-qiang, GE Liang-quan, LUO Yao-yao, ZHANG Qing-xian, CHENG Feng, WANG Guang-xi
		DOI: 10.3964/j.issn.1000-0593(2013)09-2583-03
		In energy dispersive X-ray fluorescence analysis technical analysis, the spectrum information processing has been being the focus of researches, spectrum smooth, peak-search, and peak area processing are the top priority, tA peak search method is based on simulated annealing algorithm principle, and to establish a new search peak model algorithm, this algorithm uses the advantages of the global convergence properties of simulated annealing and the Metropolis criterion is used as a peak valley judgment basis. A new decision criteria on peak valley array is used in this method, too. At the same time, convergence is taken from both ends of the spectrum channel address, it ends up when convergence reaches to the same optimal solution. This paper compared the algorithm with the simple comparison method, third derivative method, and the contrast experiment results, showing that this algorithm has a strong ability on X-ray fluorescence spectrum peak-search and a certain value in the actual production.
		2013 Vol. 33 (09): 2583-2585 [Abstract] ( 621 ) PDF (1566 KB) ( 223 )

	2586	Development of Spectrometer for Tongue Diagnosis Based on Plane Holography Concave Grating
		REN Zhong, LIU Guo-dong^*, HUANG Zhen
		DOI: 10.3964/j.issn.1000-0593(2013)09-2586-05
		The traditional tongue inspection method should be urgently improved due to the relative large diagnosis error probability caused by the excessive dependence on the Chinese physician’s experience and judgment. But the application of tongue diagnosis based on image processing is limited by some factors including the performance of light source, image acquisition device and the low recognition rate of similar color for different diseases. In order to overcome these drawbacks, the spectroscopy method was employed to analyze the tongue by using the unique fingerprint effect of tongue spectrum. A spectrometer for tongue diagnosis (STD) was developed to achieve this goal in this paper. Meanwhile, to overcome the shortcomings of traditional light-splitting devices, a plane holographic concave grating was used as the diffractive grating, which not only can improve the luminous flux efficiency and miniaturize system, but also improve the spectral imaging quality and resolution. Experimental results demonstrated that the spectral range of STD reached 340～850 nm, and its spectral resolution is better than 2 nm. And the result of simulation experiment validated the feasibility of spectrometer’s system.
		2013 Vol. 33 (09): 2586-2590 [Abstract] ( 789 ) PDF (1999 KB) ( 406 )

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