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2007 Vol. 27, No. 01 Published: 2007-01-26

光谱学与光谱分析

	1	Calculation and Analysis of Optical Transitions of Pr³⁺ Ions in Fluoride Glass
		KANG Dong-guo¹,CHEN Xiao-bo^1*,LI Song¹,CUI Jian-sheng¹,CAI Qing²,YU Bao-ting²
		Intensity parameters of Pr³⁺ in ZBLAN glass were calculated using Judd-Ofelt(J-O) theory with absorption spectrum measurement. The anomalous behavior of Pr³⁺ was discussed using J-O theory. Base on the intensity parameters, the optical parameters such as spontaneous emission rate, branching ratio，and integrated emission cross section etc were predicted. The future of the glass as a laser material was discussed, and the probability of photon avalanche in the material was also analysed.
		2007 Vol. 27 (01): 1-4 [Abstract] ( 2292 ) PDF (527 KB) ( 519 )

	5	Optical Limiting Response in Er³⁺-Doped TeO₂-Nb₂O₅-ZnO Glass
		LI Yu-qiong¹,SUN Zhen-rong^2*,KANG Hai-feng²,YUAN Yi-zhong2, WANG Zu-geng²
		Nonlinear optical properties of Er³⁺doped heavy metal telluride glass were studied by picosecond laser pulses. The optical limiting response was measured by a transmission technique, and the reverse saturable absorption (RSA) by a Z-scan technique. When the incident power reached the threshold, the tranmitted power did not grow rapidly with the incident power as before, but remained almost constant. It means that the Er³⁺-doped glass possesses an optical limiting effect. The experimental results show that the excited absorption is responsible for the measured RSA, resulting in optical limiting response. The measured data can be well simulated by a rate equation model to obtain the absorption cross sections of the excited state.
		2007 Vol. 27 (01): 5-7 [Abstract] ( 446 ) PDF (364 KB) ( 546 )

	8	Study on the Contribution of the Charge Transfer Excited States in Ba₂MgGe₂O₇∶Cr⁴⁺ Crystal to g Factor
		WU Xiao-xuan^{1, 2, 3},ZHENG Wen-chen^{2, 3}
		A complete high-order perturbation formula of g factor for cubic 3d² MX₄ clusters was established. In the formula, not only the contributions of the crystal-field (CF) mechanism (which is related to the CF excitations) to the g-shift Δg(=g-g_s), but also the contributions of the charge-transfer (CT) mechanism (related to CT excitations) were considered. Using the formula, the g factor of Ba₂MgGe₂O₇∶Cr⁴⁺ was calculated. The result was in agreement with the observed value. It was found that the calculated Δg_CT due to the charge-transfer mechanism is opposite in sign and about 38% in magnitude, compared with the calculated Δg_CF due to the crystal-field mechanism. So, for a high valence 3dⁿ ion in crystals, the reasonable explanation of g factor should take into account the contributions of both crystal-field and charge-transfer mechanisms.
		2007 Vol. 27 (01): 8-11 [Abstract] ( 1094 ) PDF (348 KB) ( 391 )

	12	Study on Stimulated Emission of Eu²⁺ in Crystal KMgF₃∶Eu²⁺
		MO Feng-shan^{1, 3},SU Hai-quan^{2, 3},ZHU Guo-xian^{1, 3},SHI Chun-shan^3*
		The line emission peak of Eu²⁺ ion in crystal KMgF₃ is at 360 nm. The probability of stimulated emission on 4f⁷(⁶P_7/2)→4f⁷(8S_7/2) transition was predicted with a four-level decay model of Eu²⁺ ⁶P_7/2 excited states proposed by the authors. Optic gain and net gain coefficient (g=11.4±3.2)cm^-1 of 360 nm emission in crystal KMgF₃∶Eu²⁺ were measured by ASE method, and the predication was proved by experiment. The net gain coefficient can be increased by annealing or doping crystal KMgF₃∶Eu²⁺ with Gd³⁺ or Ce³⁺.
		2007 Vol. 27 (01): 12-14 [Abstract] ( 1411 ) PDF (378 KB) ( 417 )

	15	Spatial Distribution of Optical Emission Spectrum in Electron-Assisted Chemical Vapor Deposition of Diamond
		DONG Li-fang, WANG Zhi-jun, SHANG Yong
		The optical emission process of atomic hydrogen (H_α,H_β,H_γ), atomic carbon C(2p3s→2p²:λ=165.7 nm) and radical CH(A²Δ→X²Π:λ=420-440 nm) in diamond film growth by electron-assisted chemical vapor deposition (EACVD) from a gas mixture of CH₄ and H₂ was studied using Monte-Carlo simulation. Spatial distributions of the emission lines were investigated. The spatial distributions of intensity of all these emission lines were the same on the whole, which increases with the distance from the filament and decreases near the substrate. The intensity of atomic hydrogen lines decreases with increasing CH₄ concentration, while that of CH and atomic C lines increases with increasing CH₄ concentration.
		2007 Vol. 27 (01): 15-17 [Abstract] ( 1185 ) PDF (341 KB) ( 473 )

	18	Study on the Electron Density Distribution of Laser-Induced Air Plasmas
		LIN Zhao-xiang¹,CHEN Bo¹,WU Jin-quan¹,GONG Shun-sheng²,SUN Feng-lou¹
		An 1.06 μm Nd∶YAG laser beam (energy: -500 mJ/pulse, pulse width: 10 ns, repetition rate: 30 Hz) was focused by a conical lens, and a column of laser-induced air plasmas (LIAP) came into being. The LIAP column, about 8 cm of long and 5 cm in maximal diameter, was studied by spectra measurement. The spectra of the LIAP column at different position were measured in the directions both perpendicular and parallel to the laser propagation respectively. From these data, the electron densities of the LIAP were evaluated. The experimental results indicate that the LIAP formed in an olivary shape, i.e., symmetrical in the vertical direction but unsymmetrical in the horizontal direction, and the maximal electron density is about 10¹⁸ cm^-3. The spatial distributions of atoms, molecules and ions in different states in the LIAP were also discussed, and provide clues for discovering the microstructure of LIAP.
		2007 Vol. 27 (01): 18-22 [Abstract] ( 2278 ) PDF (508 KB) ( 474 )

	23	Spectra of in situ Reduction of Ag(I) by Phycocyanin and Dynamic Formation of Ag(0)
		YANG Fang^{1, 2},GUO Zhen-jiang¹,BAI Yan¹,ZHENG Wen-jie^{1, 2*}
		The interaction of Ag(I) and Phycocyanin(PC for short) was investigated by ultraviolet-visible, fluorescence and infrared spectra under the condition of 4 ℃ and without light. The results showed that the characteristic absorption of PC at 615 nm decreased gradually with the increase in Ag(I) concentration and interaction time. Accordingly, its fluorescence emission peak and two fluorescence excitation peaks also decreased. Dynamic formation of nano-Ag(0) was also observed by synchronous fluorescence spectra, showing that Ag(0) was formed by the PC in situ reduction. It was observed by TEM that Ag(0) dispersed in PC, which formed a bioconjugate with PC as the core and nano-Ag(0) as the crust. The bioconjugate was round and its diameter was about 15-30 nm.
		2007 Vol. 27 (01): 23-27 [Abstract] ( 2278 ) PDF (859 KB) ( 499 )

	28	Study on the Analysis of Mixed Spectra of Benzene Homologs with Dolittle Multivariate Correction Method
		DING Ya-ping^*,YU Mei-li, WANG Li，XU Yin-juan
		Dolittle algorithm is a numerical analysis method with high accuracy and low cost. In the present paper, the Dolittle algorithm is introduced into chemometrics. Dolittle multivariate correction method was put forward for the first time and was applied to solve the problem of overlapped spectra of multi-components. In addition, Dolittle multivariate correction method was used to resolve the problem of spectrum of mixed system of benzene homologs. The result shows that the Dolittle multivariate correction method is superior to the K-matrix method. The relative standard deviation of the Dolittle multivariate correction method is from -6.35% to 8.70%, while the relative standard deviation of K-matrix is from -14.76% to 13.40%. It was demonstrated that Doolittle algorithm is effective in analytical chemistry.
		2007 Vol. 27 (01): 28-31 [Abstract] ( 1111 ) PDF (454 KB) ( 479 )

	32	Study on the Property of CBD-CdS Thin Films
		SUN Xue-bai, ZHANG Xi-qing, DU Peng，CHANG Xiao-wei, WANG Jun-ling, HUANG Shi-hua
		CdS thin films were prepared by chemical bath deposition (CBD) at 90 ℃. The influence of annealing and CdCl₂ treatment on CBD-CdS thin film was studied. XRD and SEM were used to study the crystal structure and surface morphology of the films. The untreated CBD-CdS films had poor crystallinity; the CdS thin film made with annealing treatment had cubic crystallinity but small grain size. After the CdCl₂ treatment, these films recrystallized to the hexagonal phase, resulting in a better crystallinity, and smooth surface morphology. Optical properties were studied by absorption spectrum. The energy gap of the films was found to decrease by annealing, and the CBD-CdS made with CdCl₂ treatment had a lower density of planar defects. In conclusion, the CdCl₂ treatment can improve the properties of the CdS thin films.
		2007 Vol. 27 (01): 32-34 [Abstract] ( 560 ) PDF (595 KB) ( 477 )

	35	Detection of Total Nitrogen and Organic Matter in Rhizosphere of Transgenic Cotton by Near-Infrared Diffuse Reflectance Spectroscopy
		RUI Yu-kui^1，2,HUANG Kun-lun^1，3,TIAN Hui-qin¹,GUO Jing¹,LUO Yun-bo^1*
		With the rapid development of the transgenic biotechnology，more and more transgenic plants have been poured into the market, and scientists have paid much attention to transgenic plants’ ecological safety. To analysize the content of organic matter and total nitrogen in rhizosphere of transgenic cottons and their parents, the dried soil were scanned by continuous wave of near infrared diffuse reflectance spectroscopy ranging from 12 000 to 4 000 cm^-1 with a resolution of 4 cm^-1 and scanning for 64 times. Bruker OPUS software was applied for quantification. This method was compared with the standard methods. The results showed that the precision of NIRS was very similar to the standard methods. On the other hand, the results also showed that the contents of organic matter and total nitrogen in rhizosphere soil of transgenic cottons were significantly higher than those of their parents, which could arise from the foreign toxin secretion of root.
		2007 Vol. 27 (01): 35-37 [Abstract] ( 1846 ) PDF (345 KB) ( 518 )

	38	The Applications of Fourier Transform Infrared Spectroscopy in Resolving Some Taxonomic Doubts of Caprifoliaceae
		HAO Chao-yun, CHENG Cun-gui, LIU Peng^*
		Fourier transform infrared spectroscopy (FTIR) provides biochemical profiles containing overlapping signals from a majority of the compounds that are present when whole samples are analyzed. The spectra of the xylem of 112 samples belonging to 12 species and 5 genera in Caprifoliaceae were determined directly with FTIR spectrometry and OMNI-sampler. Based on the indices of wave number -absorbance, the phylogenetic relationships of the 12 species were analyzed by the methods of principal coordinate analysis (PCO) and cluster analysis. The results showed that the infrared spectra of the 12 plant species are fingerprint-like patterns which are highly typical for different taxa. Genus Heptacodium has close relation with the tribe Linnaeeae, and Lonicereae, showing that its systematic position is probably located between the two tribes. There is no obvious difference between Viburnum and Sambucus, so the authors thought it would be better to put the two genera in Caprifoliaceae. Therefore, the infrared spectra are of taxonomic value at the level of species and genera, and this technique could be widely used for identification and classification of other taxa when standard spectra are available.
		2007 Vol. 27 (01): 38-42 [Abstract] ( 1138 ) PDF (538 KB) ( 479 )

	43	Study on Noninvasive Detection Using NIR Diffuse Reflectance Spectrum for Monitoring Protein Content in Milk Powder
		CHANG Min, CHU Peng-jiao, XU Ke-xin^*
		A quick and nondestructive method using near-infrared (NIR) diffuse reflectance spectroscopy to determine the content of protein in milk powder was presented. Twenty-nine kinds of milk powder were selected from domestic different districts. Partial least square (PLS) regression was utilized to build the calibration between the spectra and the protein content with chemical analysis as a reference method. Root mean square error of prediction (RMSEP) of 0.687% was acquired. With the application of the method of wavelength selection, the number of wavelengths was decreased greatly from 1 558 to 11. The speed was accelerated and the accuracy of the calibration was improved to some extent. In order to reduce the particle size and nonspecific scattering effect, standard normal variate (SNV) and multiplicative scatter correction (MSC) were performed. These two treatments proved useful, and the RMSEP was reduced by 37%. Our results suggested that NIR diffuse reflectance spectroscopy was fast and real-time and could meet the practical measurement accuracy as required for industrial process analysis，providing a new tool for quality control of milk powder products.
		2007 Vol. 27 (01): 43-45 [Abstract] ( 1179 ) PDF (392 KB) ( 524 )

	46	Quality Analysis of Chinese Bacon with Near Infrared Spectroscopy
		ZHAO Li-li¹,ZHANG Lu-da²,SONG Zhong-xiang³,LI Yong⁴,YAN Yan-lu5, MA Chang-wei^1*
		The feasibility of fast and correctly detecting the quality of Chinese bacon by NIR was studied. The acid value (AV) can reflect the quality of Chinese bacon during processing and storage which is prescribed in the Chinese national standard methods definitely. The fat is abundant in Chinese bacon, so the AV index is important for the quality of Bacon. Samples were scanned on the Bruker FTNIR reflected spectra instrument after being ground. The preprocess method of Additional Scattered Correction was used for the mathematic model of AV and moisture content of Chinese Bacon by PLS. The correlation ratio and the RMSCV of AV and moisture content of the prediction set were 0.98, 0.25, 0.90 and 0.02 respectively. The results showed that NIR spectroscopy analysis technology can be used for fast detecting AV and moisture content of Chinese Bacon.
		2007 Vol. 27 (01): 46-49 [Abstract] ( 1831 ) PDF (513 KB) ( 492 )

	50	Identification of Semen Celosiae and Semen Celosiae Cristatae Using Continuous Wavelet Transform with FTIR
		ZHANG Chang-jiang¹,LI Dan-ting²,LIANG Jiu-zhen¹,CHENG Cun-gui²
		Infrared spectra of semen celosiae and semen celosiae cristatae were obtained directly, quickly and accurately by Fourier transform infrared spectroscopy (FTIR) with OMNI sampler. Continuous wavelet transform was used to extrude local region of infrared spectra of semen celosiae and its confusable varieties. The difference of infrared spectra between semen celosiae and semen celosiae cristatae was extruded greatly. Accurate identification rate was improved greatly. Morlet wavelet, which can detect singular values of signal effectively, was selected as the mother wavelet. One-dimensional continuous wavelet transform was implemented for the infrared spectra of semen celosiae and its confusable varieties. The difference between semen celosiae and semen celosiae cristatae was observed at all scales in the wavelet domain. An optimal scale, at which the difference between semen celosiae and semen celosiae cristatae was the most obvious, was selected to identify semen celosiae and semen celosiae cristatae. The results show that it is effective to apply continuous wavelet transform on the basis of FTIR to identify the traditional Chinese medicinal materials, which are the same genus but different species.
		2007 Vol. 27 (01): 50-53 [Abstract] ( 2183 ) PDF (488 KB) ( 509 )

	54	Spectroscopic Characterization of Heavy Metal Wastewater Treatment by Pyrite
		ZHANG Ping^1，2,LIANG Min-hua¹,CHEN Yong-heng^2*
		Treatment of acidic heavy metal wastewater by pyrite was studied by reflectance spectroscopy and absorption spectroscopy. The surface reaction in pyrite and the interaction between pyrite and heavy metal were investigated. The diffuse reflectance FTIR spectroscopy(DRIFTS) showed that the surface hydroxyls in pyrite reacted with heavy metal ion in the process of wastewater treatment, and furthermore, the phenomenon of the acidic wastewater driven to neutrality(pH 7) naturally after treatment was reasonably explained by analyzed carbonate in pyrite. The reflectance spectroscopy in visible region can be used to characterize the change of mineral particle and specific surface in this treatment process, and the reasons for the activity of pyrite increasing in repetitive use were explained. A process of adsorption-precipitation from Cr(Ⅵ) to Cr³⁺ and to Cr(OH)₃ was proved by absorption spectroscopy and XPS during the treatment of Cr(Ⅵ)-bearing wastewater by pyrite.
		2007 Vol. 27 (01): 54-57 [Abstract] ( 1579 ) PDF (441 KB) ( 545 )

	58	Research on the Method of Choosing Optimum Wavelengths Combination by Using Multiple Scattering Correction Technique
		LU Yong-jun, QU Yan-ling, FENG Zhi-qing, SONG Min
		Multiple scattering correction(MSC) algorithm can be used effectively to remove the effect of scattering due to the physical factors such as the density and humidity of sample granule, and as a result the ratio of signal to noise is improved greatly. Meantime correlation spectrum plays a important role in the choice of optimum wavelength set because it describes the linear correlationship between the absorbance and concentration of the sample’s ingredient under analysis. However, the correlation spectrum obtained by unitary linear regression(ULR) at single wavelength channel can be easily affected by the scattering so as to cover up the characteristic linear information of the sample. In order to solve the problem in the present paper MSC was applied to obtain useful signal and suppress noise of correlation spectrum. Through the careful calibration experiment of ginseng sample this idea has proved to be correct, and satisfactory result was obtained.
		2007 Vol. 27 (01): 58-61 [Abstract] ( 416 ) PDF (407 KB) ( 509 )

	62	Spectral Characterization and N Content Prediction of Soil with Different Particle Size and Moisture Content
		BAO Yi-dan¹,HE Yong¹,FANG Hui^1*,Annia Garcia Pereira^1，2
		The present work was focused on analyzing the influence of moisture content, particle size, light source incidence angle and observation height on a loamy mixed soil spectra. Meanwhile, prediction models for N content with different moisture and particle sizes were obtained, and the influence of these properties on N prediction was studied. The future applicability of NIR spectroscopy as a technique able to make prediction on the spot was analyzed. Observation height 100 mm and light source angle 45° were chosen to present a sharpest spectra. Moisture content and particle size were found to affect strongly the absorbance of the spectra, and an accurate N prediction was obtained when the particle sizes varied from 0.5-1.0，1.0-2.0 and 2-5 mm with r of 0.82，0.81 and 0.81, respectively. Poor N prediction was obtained when the soil kept its natural moisture with r of 0.57 and SECV of 3.06 compared with the performance when it was dry with r of 0.81 and SECV of 2.40.
		2007 Vol. 27 (01): 62-65 [Abstract] ( 1739 ) PDF (513 KB) ( 740 )

	66	Identification of White Muscardin Silkworms by Infrared Spectroscopy
		JI Xian-ling¹,GAI Ying-ping²,MU Zhi-mei^1*,WANG Geng-xian¹,JI Sheng-lai¹
		The infrared spectra of the ethanol extracts of well-living silkworms and white muscardin silkworms of different seasons and breeds were analyzed by means of the sequential analysis in which two indexes, i.e. common peak ratio and variant peak ratio, were applied. The results showed that the ethanol extracts of white muscardin silkworm have a stable and distinct infrared spectrum. The spectral differences of the ethanol extracts between white muscardin silkworms and well-living silkworms were so obvious that the common peak ratio of them was no more than 63.0%，and the variant peak ratio amounted to 41.2%. The spectra of different breeds and seasons conformed with each other with a few small differences. The minimum common peak ratio of the spectra of different breeds was 76.0%，and the maximal ratio was 92.0%. The common peak ratio of the spectra of different seasons was 73.1%. Infrared spectrometry was proved to be good for the identification of white muscardin silkworms and the differentiation of white muscardin silkworms of different breeds and seasons.
		2007 Vol. 27 (01): 66-69 [Abstract] ( 525 ) PDF (523 KB) ( 511 )

	70	Study on Spectroscopy of 3-Substituted Phenyl-5-(3′-Indolyl)-Isoxazoline Derivatives
		GUO Xiao-he¹,CHANG Jun-biao^1,2,CHENG Sen-xiang³,WANG Qiang³
		FTIR has been used broadly for its quick analytical rate, good reproducibility, low cost and no waste sample. The rule of infrared spectroscopic characteristics of nine 3-substituted phenyl-5-(3′-indolyl)-isoxazoline derivatives (containing phenyl and indolyl) was studied, and the influence of the substituted groups on the IR was indicated. All the ¹H NMR chemical shifts of the nine novel compounds were discussed. The rule of change in chemical shifts is the same as that of IR. The study will provide a new way of elicitation for studies on the spectroscopy of this kind of compounds.
		2007 Vol. 27 (01): 70-73 [Abstract] ( 1525 ) PDF (331 KB) ( 479 )

	74	Analysis and Identification of Emulsifying Viscosity Reducer by FTIR and ¹H NMR
		ZHU Hong¹,GUAN Run-ling¹,SHEN Jing-mei²
		Separation and purification of viscosity reducer for crude oil were performed with distillation and dissolution-precipitation. The functional group of its main component was identified by FTIR. It was deduced that the main component of the crude oil viscosity reducer is the tricopolymer of poly ethyl acrylate/methyl methacrylate/acrylic acid. The structure of the component was also ascertained and quantitively analysed with ¹H NMR and MS. The mol ratio of the three monomers is 37.1∶25.8∶37.1, and the mass ratio is 41.1∶28.8∶29.8. The structure of the part soluble in methanol was identified by FTIR. The result showed that the nonionic sufactant is poly ethylene oxide with the moleculear mass range of 800-1 600, and the anionic surfactant is alkylbenzene sulfonate. The residue is accessory ingredient and water.
		2007 Vol. 27 (01): 74-77 [Abstract] ( 1196 ) PDF (420 KB) ( 511 )

	78	Raman Spectroscopic Studies of n-Pentadecane Under High Temperature
		QIAO Er-wei,ZHENG Hai-fei^*
		The present paper investigates the Raman spectrum of n-pentadecane in diamond anvil cell under a temperature up to 350 ℃. The result shows that the pressure increases at elevated temperature, but the effect of pressure on the stretching vibrational modes of CH₃ and CH₂ is inverse to that of temperature. The action of temperature is weaker than that of pressure. So the spectral profile of stretching vibrational modes of CH₃ and CH₂ gradually changes and the Raman shift moves to higher frequency with increasing temperature and pressure. It is indicated that the bonding energy of C—H bonding increases with temperature and pressure. In addition, the generation of a new substance resulted in a drastic fluorescence appearance, so the detection of the Raman spectrum of n-pentadecane failed. During the authors’ experiment, the author observed a dependence of the drastic fluorescence occurrence time on temperature and pressure conditions.
		2007 Vol. 27 (01): 78-80 [Abstract] ( 2224 ) PDF (404 KB) ( 467 )

	81	FT-Raman Spectra Study of Platymonas Subcordiformis
		WANG Li-jiang¹,CHEN Rong^1*,ZHUANG Hui-ru²,OU Lin¹,HUANG Xiang-ying¹
		FT-Raman spectroscopy was adopted to investigate the Raman spectrum of Platymonas subcordiformis. The result shows that the optimal experiment condition is making sample lose solvent with centrifuge, exciting laser power set at 360 mW and accumulating 70 times. The main peaks of the spectra are 381-432, 552-556, 611-613, 710, 873, 953-964, 1 108-1 119, 1 457, 1 523-1 527 and 2 986 cm^-1. They belong to protein, insaturation acid and ester, etc, which are the main composition of Platymonas subcordiformis. The precise measurements of algae Raman spectra could be used for developing a new optical taxonomic methodology to distinguish between different algae species, and a rapid, non-destructive detection way of stress effects.
		2007 Vol. 27 (01): 81-83 [Abstract] ( 2340 ) PDF (334 KB) ( 508 )

	84	Synthesis and Characterization of Octa-Carboxylic Phthalocyanine Aluminum and Its Interaction with Bovine Serum Albumin
		CHEN Kui-zhi¹,PENG Yi-ru^1*,LIN Wei¹,CAO Yu-hong¹,XU Guo-xing²,WENG Jia-bao^<sup>1，3
		Octa-carboxylic phthalocyanine aluminium (AlPc(COOH)₈) was used as fluorescent probe of infrared region. The interaction of octa-carboxylic phthalocyanine aluminium (AlPc(COOH)₈) and bovine serum albumin(BSA) was studied by UV/Vis and fluorescence spectra methods. The binding constant K_A and n of phthalocyanine aluminium with BSA were determined. The results were K=5.74×105, n=5.7 and K=3.51×10⁵,for these two methods respectively. The same results by using two different analytical methods were obtained. Besides, hemin chloride(HE), ibuprofen(IB) and L-tryptophan(TRP) were used as probes, and the effects of these probes on the spectra of AlPc(COOH)₈)-BSA were studied by competitive binding method. The result indicated that, by adding HE into the AlPc(COOH)₈)-BSA system, obvious spectral change of the system was observed, while adding TRP and IB caused no spectral changes. The binding site of octa-carboxylic phthalocyanine aluminium on the BSA was found to be at theIsite by competitive binding method.
		2007 Vol. 27 (01): 84-87 [Abstract] ( 1561 ) PDF (422 KB) ( 513 )

	88	Manganeseporphyrin/Vanadium-Substituted Polyoxometalate New Coordination Compound: Synthesis，Characterization and Catalytic Activity
		ZHANG Zhen-cheng,AN Qing-da^,ZHANG Shao-yin,WANG Shao-jun^
		A new kind of manganeseporphyrin/vanadium-substituted polyoxometalate coordination compound was synthesized by meso-tetrakis(4-trimethylamidiophenyl)manganeseporphyrin and vanadium-substituted polyoxometalate H₅PMo₁₀V₂O40 reacting in water solution at room temperature, and its structures were studied by IR spectrometry and UV-Vis spectrometry. The results show that metalloporphyrin ring structure and polyoxometalate cage structure still exist in the coordination compound，and these two parts connect with each other by chemical bond. As an excellent catalyst, its effects on benzene hydroxylation and catalytic capabilities were studied with H₂O₂ solution as an oxidant under mild reaction condition, meanwhile the catalytic active centre in the benzene hydroxylation reaction was discussed. The results indicated that V atom in polyoxometalate is the main centre of catalytic activity, while the presence of manganeseporphyrin could improve its catalytic activity greatly.
		2007 Vol. 27 (01): 88-90 [Abstract] ( 1772 ) PDF (372 KB) ( 512 )

	91	Study on the Effect of Blood Scattering on the Variety of Equivalent Path-Length in Dynamic Spectra Measurement
		WANG Yan^{1, 2},LI Gang^1*,LIN Ling¹,LIU Yu-liang¹,LI Xiao-xia^{1, 3}
		Dynamic spectrum (DS) can be used to eliminate the individual discrepancy of tissues theoretically except the pulsatile component of the artery blood (PCAB). One of the systematic errors in the calculation of the component changes from NIRS data of the dynamic spectrum is the absolute magnitudes and relative differences in path-length factors as a function of wavelength. Monte Carlo simulations are used in the present paper to examine the importance and mitigation methods of this error while the photoelectric pulse wave is detected on the finger tip. The measure accuracy of the DS method is evaluated by error analysis.
		2007 Vol. 27 (01): 91-94 [Abstract] ( 217 ) PDF (490 KB) ( 563 )

	95	The Impact of Blood Content in Skin Tissue on Skin Spectra
		HUANG Bao-hua¹,CHEN Rong^1*,ZENG Hai-shan²,WANG Yue-yun¹,XIE Shu-sen¹
		Based on the analysis of skin structure, and the production mechanism of fluorescence and reflectance spectra, six-layer optical models for skin of different blood content in both upper blood plexus and deep blood plexus were developed, and Monte Carlo simulation was made. The result shows that (1) Both fluorescence and reflectance spectra could reflect the change of blood content in skin tissue; (2) The impact of blood content in upper blood plexus on skin spectra intensity is large, while the impact of blood content in deep blood plexus on skin spectra intensity is small; (3) Fluorescence and reflectance spectra could be used to detect or analyze change of blood content in skin tissue, especially to test the treatment and tune of dermatosis with plexus or blood pathological changes in upper dermis.
		2007 Vol. 27 (01): 95-98 [Abstract] ( 96 ) PDF (441 KB) ( 468 )

	99	Fluorescence Spectra and Analysis of Chicken Liver GST
		XUE Ze-chun,CHENG Xin-sheng^*,YANG li-wen,ZHANG Xian,XI Zheng
		Glutathione transferases (GST; EC2.5.1.18) is an important detoxification enzyme which catalyze the conjugation of glutathione to a large variety of endogenous and exogenous electrophilic compounds to protect the functions of body. In the present paper, three dimensional fluorescence spectra were obtained, through which the authors could identify the fluorescence spectra of peptide bond, Tyr and Trp residue. The authors compared aromatic amino-acid residue fluorescence spectra in GST with dissociative to know red or blue shift of the fluorescence peak. The authors also studied the peptide bond and Trp residue fluorescence spectra at various pH, which suggested the change in GST surface and surface hydrophobicity, and the microenviroment change of aromatic amino-acid residue in enzyme.
		2007 Vol. 27 (01): 99-103 [Abstract] ( 1155 ) PDF (671 KB) ( 470 )

	104	Fluorescence Reaction of the System of Safranine T-Sodium Dodecylbenzene Sulfonate-Protein and Its Application
		CHENG Ding-xi, WANG Shao-hua
		There is a self-polymerization equilibrium system between the cation of the fluorescent dye-safranine T and its dimer. In the presence of appropriate amounts of anionic surfactant SDBS, the above mentioned equilibrium can be adjusted by a quantitative addition of protein, thus leading to a regular change in the fluorescence intensity of the system. Based on this phenomenon, the properties of the absorption spectrum and fluorescence spectrum of the system were studied, and a new fluorescence probe for the determination of protein was established. It was found that ST was apt to dimerize in the solution added with appropriate amounts of anionic surfactant. Because of the dimerization, its fluorescence intensity decreased, whereas the addition of protein caused the dimer to be depolymerized and the system fluorescence increased. A linear relationship between the fluorescence intensities and serum albumin concentration was found in the range of 0-40 μg·mL^-1,and the detection limit found was 0.034 μg·mL^-1. The significant features of this method were its rapidity of reaction, and high sensitivity, accuracy and selectivity. The method was applied to the determination of total proteins in real human serum, and satisfactory results were obtained.
		2007 Vol. 27 (01): 104-107 [Abstract] ( 1632 ) PDF (470 KB) ( 446 )

	108	Study on the Interaction between p-Octacarboxyphenylazocalix[8]arene and Norfloxacin by Fluorescence Spectrometry
		LI Yan-ping, LI Lai-sheng^*,HUANG Zhi-bing, LIU Xu, GE Xiao-hui
		In the present paper, p-octacarboxyphenylazocalix[8]arene (CPAC) was used as supramolecular probe according to a reported method. The interaction of CPAC with drug norfloxacin (NFLX) was studied by fluorescence spectrometry. The results show that CPAC can strongly quench the fluorescence of NFLX because of the complex interaction between host and guest molecules in exo-inclusion complex. The spectral changes indicated that the quenching can be considered as static quenching mode. The hydrophobic interaction between the cavity of CPAC and the quinoline ring was the main force to consolidate the exo-inclusive complex CPAC-NFLX stability. The complex constant (K) and binding ratio (n) were determined to be 6.38×10⁵ L·mol^-1 and 1, respectively. Further experiment found that the calf thymus DNA and CPAC can combine, leading to the release of NFLX and the enhancement of fluorescence of the reaction system. It is expected that CPAC will be used as drug carrier and releaser.
		2007 Vol. 27 (01): 108-112 [Abstract] ( 197 ) PDF (583 KB) ( 446 )

	113	Determination of Trace Chromium(Ⅵ) by Catalytic Spectrofluorimetry Using Pyronine Y-H₂O₂-Cr(Ⅵ) System
		LIN Shao-yu^{1, 2},GAO Wen-hua^1*,LIU Xiao-xuan¹,CHEN Yao-wen¹
		A simple and highly sensitive new kinetic catalytic fluorimetric method was proposed for the determination of trace chromium (Ⅵ), based on the catalytic effect of trace amounts of chromium (Ⅵ) on the oxidation of Pyronine Y by hydrogen peroxide in acetic acid-sodium acetate buffer medium leading to a decrease in the fluorescence intensity. The optimum conditions and kinetic properties of the catalytic reaction were also studied. The apparent activation energy and the apparent rate constant are 159.92 kJ·mol^-1 and 5.7×10^-2 s^-1 respectively. The linear range of the calibration curve is 0.02-0.24 μg·mL-1 and the detection limit is 0.012 μg·mL^-1. The present method was applied to the determination of chromium(Ⅵ) in river water，and industrial and electroplating waste water with good results.
		2007 Vol. 27 (01): 113-115 [Abstract] ( 1791 ) PDF (365 KB) ( 501 )

	116	Spectrophotometric Study on the Interaction of Acridine Orange and Heparin
		SUN Wei, DING Ya-qin, TENG Wen-hui, JIAO Kui
		The interaction of acridine orange (AO) and heparin was studied by spectrophotometry. In the pH 2.0 Britton-Robinson (B-R) buffer solution, AO had a maximum absorption at 478 nm and 492 nm. After the addition of heparin, the absorbance value at 492 nm decreased greatly and a new absorption peak at 453 nm appeared, indicating a strong interaction taking place in the reaction solution. Under the optimal condition, the decrease in absorbance at 492 nm was linear with the concentration of heparin in the range of 3.0-15.0 mg·L^-1. The molar absorptivity was calculated to be ε=1.599×10⁵ L·mol^-1·cm-1 and the detection limit was 0.236 mg·L^-1 (3σ). The method was furthur applied to the detection of heparin sodium injection samples with satisfactory results. The binding number was calculated to be 1∶3 with molar ratio method.
		2007 Vol. 27 (01): 116-119 [Abstract] ( 1133 ) PDF (422 KB) ( 465 )

	120	A New and Sensitive Resonance Scattering Spectral Method for the Determination of H₂O₂ Using Acridine Red
		LIANG Ai-hui, JIANG Zhi-liang^*,TAO Hui-lin
		Under the conditions of pH 5.0 HAc-NaAc，1.6×10^-3 mol·L^-1 KI-8.0×10^-5 mol·L^-1 Fe²⁺-4.0×10^-6 mol·L^-1 H₂O₂-40 μg·mL^-1 acridine red (AR), when there is H₂O₂,reacts with I^- to form I^-₃. The acridine red reacts with I^-₃ to form AR-I₃ ion association molecule. Under the action of the intermolecular and hydrophobic forces, these association molecules automatically aggregate to form (AR-I₃)_n association particles that exhibit three resonance scattering peaks at 320, 400 and 595 nm respectively. The H₂O₂ concentration in the range of 0.50-16.0×10^-6 mol·L^-1 is proportional to the resonance scattering at 400 nm. And a new resonance scattering spectral method was described for the determination of H₂O₂ in water samples with satisfactory results.
		2007 Vol. 27 (01): 120-122 [Abstract] ( 1528 ) PDF (304 KB) ( 494 )

	123	Synthesis and Characterization of Doping Terbium-Dichlorosalicylic Acid-N-Phenyl-β-Naphthylamine Complexes
		LIN Pei-he¹,WANG Si-hong²,CHANG Shu-lan¹
		A solid complex of Terbium -DClSal (3,5-Dichlorosalicylic acid) NPhNAm(N-Phenyl-β-Naphthylamine) was synthesized by co-precipitation in absolute ethanol solution at 60 ℃. The complex was characterized by elemental analysis, IR absorption spectra, X-ray powder diffraction, and fluorescence spectrum. The result showed that it is crystal and its chemical composition is Tb(DClSal)₃(NPhNAm)₂. Its emission peak locates at 543 nm, which is attributed to ⁵D₄→⁷F₅ of Tb³⁺ ion.
		2007 Vol. 27 (01): 123-125 [Abstract] ( 1705 ) PDF (398 KB) ( 491 )

	126	Simultaneous Determination of Multi-Components in Chinese Herbal Medicine with UV Spectrometry by Virtual Components-Artificial Neural Network
		BAI Li-fei, ZHANG Hai-tao, ZHANG Han-qi, WANG Hong-xia, WANG Hong-yan^*
		In the present paper, the simultaneous determination of multi-components in Chinese herbal medicine was performed by artificial neural network-UV spectrometry. The interference of other components was eliminated by self-revising and self-simulation of the virtual component. The double ANN including training and simulation network was established, and the capabilities of self-recognition and self-studying were improved. Therefore, the prediction accuracy of multicomponent content was improved greatly in the complicated Chinese herbal medicine system. The contents of aesculin and aesculetin, which were extracted from 21 Cortex Fraxinis, were predicted. Comparing the results with those of HPLC, the prediction accuracy was more than 90% within the relative errors less than 10%. The measurement precisions of aesculin and aesculetin were 0.37% and 1.5% respectively.
		2007 Vol. 27 (01): 126-130 [Abstract] ( 1058 ) PDF (508 KB) ( 445 )

	131	UV-Vis Spectroscopic Characterization of Active Components from Scutellaria Baicalensis Georgi
		LI Yun-xia²,SUO Quan-ling^1*,HE Wen-zhi¹,LI Chun-ping¹,HUANG Yan-chun²
		The molecular structures of three active components from scutellaria baicalensis have been studied by ultraviolet-visible spectra. The index flavonoid structures and substituted positions were deduced by analyzing the UV-Vis spectra in the methanol solution of three active components and the methanol solution with 5 diagnostic reagents, NaOMe, NaOAc, NaOAc/H₃BO₃,AlCl₃,AlCl₃/HCl respectively, which provided strong evidences for the structural characterization of the active components from natural products.
		2007 Vol. 27 (01): 131-134 [Abstract] ( 670 ) PDF (464 KB) ( 516 )

	135	Measurement of Triglyceride Content of Resin in Masson Pulp by UV Spectral Method
		SHI Hai-qiang^{1, 2},HE Bei-hai¹
		Pitch deposit is one of the most troublesome problems for the paper mills in South China that use the masson pine as a raw material to make paper. The triglyceride has been identified as the main composition accounting for pitch problem. in order to set down effective pitch control scheme, the triglyceride content in papermaking process must be measured quantitatively. A method to measure the content of triglyceride in masson wood pulp was developed based on UV spectrophotometer in the present work. The UV spectrogram and characteristic peak location of standard glycerol trioleate as well as the effect of measuring time on absorbency were discussed. The results showed that at 412 nm the relation between absorbency and consistency of glycerol trioleate was linear and the pertinent coefficient reached 0.971 in the range of reagent dosage and consistency in this experiment. The absorbency decreased linearly with measuring time and the pertinent coefficient reached 0.990 2. The results of reproductive experiment showed that the recoveries were 98%-104% and the accuracy was 1.27%-4.03% for the samples in consistency 1.25-0.50 g·L^-1. With this method, the content of triglyceride in hexane extractive of masson TMP and acid SP were measured respectively. The degradative effect of triglyceride before and after enzyme treatment for masson wood pulp was also evaluated. The results showed that the triglyceride content was relatively high, about 50% both in the total extractive of masson TMP and acid SP. After enzyme treatment, the content of triglyceride in masson TMP and acid SP was reduced by 46.31% and 35.55% respectively.
		2007 Vol. 27 (01): 135-138 [Abstract] ( 2319 ) PDF (464 KB) ( 472 )

	139	Design and Analysis of Spectral Recognition System Based on Neural Network
		XIONG Yu-hong^1，2,WEN Zhi-yu²,WANG Ming-yan¹,XU Shao-ping1, WANG Wei-li¹,XIAO Jian¹
		The technology of spectral recognition is the foundation of qualitative analysis by spectrum. With the technology of pattern recognition developed, the technology of spectral recognition has been a important tool for quick detection in medicine, environment and petrochemical industry etc. Artificial neural network has many good qualities, such as nonlinear mapping, self-adaptive learning, robustness and fault tolerant ability. It is widely applied in signal procesing, knowledge engineering and pattern recognition etc. The present paper takes spectral signal according with Lambert-Beer’ law as object, introduces basic pattern recognition theory of artificial neural network in brief, puts forward spectral recognition method based on multiple features and neural network according to spectral recognition need, makes system design and the basic frame of model, and gives an example for explanation.
		2007 Vol. 27 (01): 139-142 [Abstract] ( 1498 ) PDF (441 KB) ( 473 )

	143	Spectral Analysis of ZnO Nanocrystals
		SUN Ping, XIONG Bo, ZHANG Guo-qing, ZHU Bai-jin, DING Feng-lian
		ZnO nanocrystals with different size were prepared with deposition method at different annealing temperatures. The images of transmission electron microscopy show that the nanocrystals have a good dispersion characteristic, uniform shape, and centralized distribution. The X-ray diffraction spectra of samples show that the size and the crystallization of the nanocrystals increase as the annealing temperature grows. The peak positions of ultraviolet and visible spectra exhibit a blueshift as the crystal size decreases, which demonstrates the quantum confinement effect of ZnO nanocrystals. The infrared spectra present that there are a few residual ions adhering to the surface of ZnO nanocrystals. In addition, it was observed in the infrared spectra that the peaks at about 430 cm^-1 shift to the red and become broader with the decrease in particle size. Two emission bands were clearly observed from the photoluminescence spectra of the samples. One is a relatively narrow emission band in the ultraviolet region (360 nm), while the other is a broad emission band in the visible region (468 nm). Compared with the theoretical calculation it is suggested that the latter originates from the zinc vacancies.
		2007 Vol. 27 (01): 143-146 [Abstract] ( 280 ) PDF (542 KB) ( 505 )

	147	Model Transfer Method Based on Support Vector Machine
		XIONG Yu-hong^1，2,WEN Zhi-yu¹,LIANG Yu-qian¹,CHEN Qin¹,ZHANG Bo¹,LIU Yu¹,XIANG Xian-yi¹
		The model transfer is a basic method to build up universal and comparable performance of spectrometer data by seeking a mathematical transformation relation among different spectrometers. Because of nonlinear effect and small calibration sample set in fact, it is important to solve the problem of model transfer under the condition of nonlinear effect in evidence and small sample set. This paper summarizes support vector machines theory, puts forward the method of model transfer based on support vector machine and piecewise direct standardization, and makes use of computer simulation method, giving a example to explain the method and compare it with artificial neural network in the end.
		2007 Vol. 27 (01): 147-150 [Abstract] ( 1670 ) PDF (410 KB) ( 516 )

	151	Determination of Trace Elements in Natural Grapestone by Inductively Coupled Plasma Atomic Emission Spectrometry
		WANG Song-jun^{1, 2},CHANG Ping³,WANG Pu-jun¹,HOU Tian-ping⁴,HOU Yue⁵
		Determination of trace elements in natural grapestone was studied by inductively coupled plasma atomic emission spectrometry (ICP-AES). Comparison was made between dry incineration and acid clearing up in terms of interference of organic component in natural grapestone. By analyzing the plant standard substance GBW 07603(National Standard Substance), the data show that HNO₃-HClO₄ disposed samples are better than dry incinerated ones. The accuracy is 1.06-8.82, the precision is 1.35%-8.88%. The comparative experiment of trace elements determination was carried out for grapestone and herbs. The data show that grapestone is valuable for medicine and nutrition.
		2007 Vol. 27 (01): 151-154 [Abstract] ( 1551 ) PDF (417 KB) ( 443 )

	155	Study on Microwave Digestion of Sediment of Poyang Lake Determined by ICP-AES
		GONG Xiao-feng^{1, 2},CHEN Chun-li²,Barbara Zimmermann³,ZHAO Jin4, ZHOU Wen-bin^1*
		In order to determine the sediment of Poyang Lake correctly, digestion methods for the samples were studied in the present paper. Microwave digestion was used to digest the samples, and ICP-AES was used to determine the samples. Different digestion solutions, the amount of acids, digestion procedure and the amount of sample were investigated and optimized. Finally, an optimal digestion method was established to carry out the further analysis of all sediment samples: weigh up 0.5 g sample, take a pretreatment by heating on the electric plate for about 15 min at 180 ℃, and add HNO₃-HF-HClO₄ or HNO₃-HF-H₂O₂ in the proportions of 4∶4∶2. The microwave digestion procedure was 5 atm/3 min-10 atm/2 min-15 atm/5 min-20 atm/10 min. This method was simple, fast, effective with low work intensity.
		2007 Vol. 27 (01): 155-159 [Abstract] ( 2409 ) PDF (478 KB) ( 463 )

	160	Determination of Trace Elements in Danggui Blood-Supplementing Decoction by ICP-AES
		WAN Yi-qun，LIU Ying-xia，GUO Lan，WAN Xiao-fen
		The method for the determination of trace elements in danggui blood-supplementing decoction by inductively coupled plasma atomic emission spectrometry(ICP-AES) was presented. The contents and solubility of the trace elements in Angelica sinensis and Radix Astragali of different proportion were compared. The recovery rates of the procedure were between 97.2% and 115.6%. The RSDs were between 0.82% and 5.56%. When Angelica sinensis: Radix Astragali was 1∶5, the solubility of trace elements was the highest. The couplng of danggui blood-supplementing decoction was proved reasonable. The method was simple, rapid, precise, convenient and suitable for traditional Chinese medicine.
		2007 Vol. 27 (01): 160-164 [Abstract] ( 2052 ) PDF (506 KB) ( 511 )

	165	Separation of Cr(Ⅵ) and Organic Cr(Ⅲ) in Natural Water by Weak Basic Anion Exchange Resin and Determination by ICP-AES
		MA Hong-mei, ZHU Zhi-liang^*,ZHANG Rong-hua, ZHAO Jian-fu
		For the separation and determination of inorganic Cr(Ⅵ) and organic Cr(Ⅲ) in natural water, a sensitive and selective method was developed using a weak basic anion exchange resin micro-column and inductively coupled plasma atomic emission spectrometry (ICP-AES). Under optimized conditions, organic Cr(Ⅲ) and inorganic Cr(Ⅵ) were retained on the column, and eluted with 1.0 mol·L^-1 HCl and 2.0 mol·L^-1 NH₄NO₃＋0.5 mol·L^-1 NH₃·H₂O respectively. Then the concentrations of Cr(Ⅵ) and organic Cr(Ⅲ) were determined by ICP-AES. The detection limits of organic Cr(Ⅲ) and inorganic Cr(Ⅵ) were 1.1 and 1.4 μg·L^-1,and relative standard deviations(RSD) were 3.8％ and 5.6％ respectively. The proposed method has been applied to the determination and separation of chromium in several practical water samples with a recovery between 90.4% and 106.3%.
		2007 Vol. 27 (01): 165-168 [Abstract] ( 1622 ) PDF (466 KB) ( 408 )

	169	Determination of Impurity Elements in High-Purity Aluminium Using Inductively Coupled Plasma-Mass Spectrometry after Matrix Extraction and Separation
		XIE Hua-lin¹,NIE Xi-du¹,LI Li-bo²
		To establish the method for the determination of 7 trace impurity elements including Co, Ni, Cu, Mo, Cd, Pb and Bi in high-purity aluminium by inductively coupled plasma-mass spectrometry (ICP-MS), the impurity elements were extracted from the aluminium matrix in the form of chelates with ammonium pyrrolidine dithiocarbamate (APDC) into methyl isobutylketone (MIBK). The instrument parameters, and conditions of separation and interference of matrix were discussed in detail. The optimal detection conditions were determined. The detection limits range from 0.011 to 0.052 μg·L^-1 depending on the elements, recoveries of samples are in the range of 92.2%-103.0%, and the precision is RSD＜2.3%. This method is accurate, quick and convenient. It is used in the determination of impurity elements in high-purity aluminium with satisfactory results.
		2007 Vol. 27 (01): 169-172 [Abstract] ( 1684 ) PDF (417 KB) ( 451 )

	173	Rapid Analysis of Methylmercury and Total Mercury in Biological Samples by Ultrasonic-Assisted Solvent Extraction Coupled with Inductively Coupled Plasma-Mass Spectrometry
		SUN Jin^1，2,CHEN Chun-ying^1*,LI Yu-feng^1，2,LI Bai¹,GAO Yu-xi¹,CHAI Zhi-fang¹
		The analytical method for the determination of total mercury and methylmercury in biological samples was studied using ultrasonic-assisted solvent extraction coupled with inductively coupled plasma-mass spectrometry. Various extraction conditions like solvent types and concentrations, different assisted methods, and ultrasonic radiation time were optimized. Samples were digested with 6 mol·L-1 HCl, ultrasonicated for 2 hours, extracted by organic solvent, then back-extracted by water and directly measured after dilution. With the optimized method, the total mercury and methylmercury were simultaneously measured. The detection limit was 0.01 ng·mL^-1,the relative standard deviation (RSD) was 3.44%, the linearity of calibration curve of mercury was in the concentrations of 0-50 ng·mL^-1,and the recovery of mercury given by standard addition method was 80%-97%. Mercury in five different biological standard reference materials was determined by the described method. The experimental results were in good agreement with the certified values. The proposed method takes the advantage of ultrasonic-assisted extraction, micro-solvent extraction, and ICP-MS, which is especially suitable for the analysis of mercury in different biological samples.
		2007 Vol. 27 (01): 173-176 [Abstract] ( 1538 ) PDF (500 KB) ( 530 )

	177	Study on Determining Cadmium and Arsenic in Rice and Flour by Different Digestion Manner
		CHEN Guo-you
		Cadmium and arsenic in rice and flour was determined by microware digestion and direct digestion with electrothermal board. Mastering the characters of the pre-disposal mode for these samples, and depending on the phenomena during the experiment and the results determined by the machine, the authors can analyse the merit and disadvantage of the different digestion mode to find out the most excellent conditions and methods for experiment, then give out reasonable and applicable method based on unsuccessful experiments, analyse the reasons for unsuccessful experiments, and perfect two digestion methods which the authors used to determine cadmium and arsenic.
		2007 Vol. 27 (01): 177-179 [Abstract] ( 1073 ) PDF (396 KB) ( 463 )

	180	Indirect Studies of Zinc-Histidine Complex Reaction by FAAS
		LIU Wen-han¹,WU Xiao-qiong¹,ZHENG Jian-zhen¹,XIAO Shan-mei²,HUANG Li-hua¹
		Each state of histidine and zinc ion in aqueous solution with different pH was calculated by computer, producing the scatter diagram. Under the influence of solution pH, the mechanism of complex reaction in indirectly determining histidine by flame atomic absorption spectrometry with ZnS was studied. In different state of histidine and zinc ion in aqueous solution at differential pH, the response peak with pH in giving conditions was obtained. The soluble complex ion is composed of 0 valence histidine His^+- and -1 valence histidine His^+- and Zn(OH)₂. The theoretical analysis from computing and scatter diagram agrees very well with the data determined from the experiments. The structures of complex ion are Zn(OH)₂·(C₆N₃O₂H₉)₂,Zn(OH)₂·[(C₆N₃O₂H₈)^-]₂ and Zn(OH)₂·(C₆N₃O₂H₉)·[(C₆N₃O₂H₈)^-].
		2007 Vol. 27 (01): 180-183 [Abstract] ( 1482 ) PDF (445 KB) ( 491 )

	184	Determination of Trace Calcium in Pearl Eye Drops By Coprecipitation Atomic Absorption Spectrophotometry
		LIANG Ai-hui, JIANG Zhi-liang, WANG Xiu-li
		The trace calcium in pearl eye drops was analyzed by atomic absorption spectrophotometry after the SrNO₃-K₂CO₃ coprecipitation. The absorbance at 422.7 nm is linear with the calcium concentration in the range of 0.0-20.0 μg·mL^-1. The detection limit is 0.06 μg·mL^-1 Ca. A new atomic absorption spectrophotometric method was proposed for the determination of calcium in pearl eye drops, with some advantages including high sensitivity, simplicity, rapidity and accuracy. The recovery is in the range of 97.0%-98.3%(n=5). The RSD is 0.4%. It proved a good method for the determination of calcium in pearl eye drops.
		2007 Vol. 27 (01): 184-185 [Abstract] ( 1567 ) PDF (281 KB) ( 486 )

	186	Determination of Trace Sodium Ion in High Purity Water by Graphite Furnace Atomic Absorption Spectrometry
		YUAN Xia^{1, 2},SHEN Shi-gang¹,SUN Han-wen¹
		The present paper studied on the determination of trace Na⁺ in high purity water by graphite furnace atom absorption spectrometry. A method of directly on-line concentrating samples in graphite furnace, multiple charging, ashing, then determining once by directly charging into pools of graphite furnace, was set up. The goal of concentrating samples and avoiding contamination as well as raising sensitivity were finally achieved. To prevent the background of purity water and regent in experiment from covering the ion concentration of the sample, the authors prepared the high purity water and regent to meet the requirement of the experiment by electrodialysis in series with distillation and below-boiling-point quartz distillation at pure worktable. Satisfactory results of linearity and detection limit were obtained. The detection limit with this method was 0.086 μg·L^-1 for Na⁺. The recovery was 101%-104%.
		2007 Vol. 27 (01): 186-189 [Abstract] ( 598 ) PDF (442 KB) ( 500 )

	190	Speciation Analysis of Manganese in Water Sample Using Flame Atomic Absorption Spectrometry with Hydrolysis Separation System
		Shawket·Abliz, Abliz·Yimit, WANG Ji-de
		A rapid and sensitive method for the sequential determination of Mn(Ⅱ), Mn(Ⅳ) and Mn(Ⅶ) in water samples based on flame atomic absorption spectrometry with hydrolysis separation system has been developed. In the proper acidity, the manganese in different kind of speciation was separated by using hydrolysis acidity. The pH of sample containing manganese in different kind of speciation was adjusted to 10 by using NaOH solution，and at pH 10 of the medium, Mn(Ⅱ) and M(Ⅳ) were precipitated as hydrolysis precipitation, while Mn(Ⅶ) remaining in the solution was determined by AAS. After that, hydrolysis precipitation of Mn(Ⅱ) was solvated by adding sulfuric acid with pH 5 as solvent and determined by AAS. Finally, hydrolysis precipitation of Mn(Ⅳ) was solvated by adding sulfuric acid with pH 1 as solvent and determined by AAS. The recoveries are 93.3%-99.5% for Mn(Ⅱ), 96.7%-103% for Mn(Ⅳ) and 98.2%-104% for Mn(Ⅶ), the relative standard deviations are 2.7%, 3.2% and 3.1% respectively, and the detection limits are 0.10 mg·L^-1.
		2007 Vol. 27 (01): 190-193 [Abstract] ( 334 ) PDF (435 KB) ( 467 )

	194	Study on the Influence of Excitation Voltage and Anode on the Contribution of Scattering Effects to the Intensity of X-Ray Fluorescence
		HAN Xiao-yuan^{1, 2},ZHUO Shang-jun^1*,SHEN Ru-xiang¹,WANG Pei-ling¹
		The influence of X-ray tube spectral distribution related to the X-ray tube voltage and target anode on the contribution of scattering effects to the intensity of fluorescence was studied by using some fused disk samples. Three scattering effects were considered. They are coherent scattering effect, incoherent scattering effect and primary fluorescence scattered into the direction of detector respectively. For the fused beads under investigation, the results show that the contributions of coherent scattering effect and the primary fluorescence scattered into the direction of detector decreased with increasing the tube voltage, and the contribution was larger when excited by the X-ray from Cr target than that from Rh target. On the contrary, the contribution of incoherent scattering effect to the intensity of fluorescence increased with increasing the voltage, and was larger when excited by the X-ray from Rh target than that from Cr target. The sum of the contribution of scattering effects to the intensity of fluorescence increased with increasing the voltage, and was larger when excited by the X-ray from Rh target than that from Cr target.
		2007 Vol. 27 (01): 194-197 [Abstract] ( 1086 ) PDF (360 KB) ( 527 )

	198	Wavelet NeighShrink Method for Grid Texture Removal in Image of Solar Radio Bursts
		ZHAO Rui-zhen¹,HU Zhan-yi²
		The data received from solar bursts contain a lot of noise, which makes further processing more difficult. To remove the noise and enhance the image, we studied the properties of the NeighShrink threshold function and analyzed the influence of neighborhood window size on the denoising result, on the basis of which a new wavelet NeighShrink square root method for image denoising is presented. Firstly, each channel of the solar burst image is normalized, which can, to some extent, remove the horizontal grid texture in the image. Secondly, the preprocessed image is decomposed by wavelet transform, and the obtained wavelet coefficients are thresholded by NeighShrink square root method. Finally, the denoised image is reconstructed by inverse wavelet transform. The experimental results show that the presented method is effective in noise removal and image enhancement.
		2007 Vol. 27 (01): 198-201 [Abstract] ( 585 ) PDF (567 KB) ( 458 )

	202	Progress in the Study of Application of Modern Instrument to Investigation of Gallstones
		WANG Qing-hao, ZHANG Hui-min, OUYANG Jian-ming^*
		The analyses of chemical composition and elements in gallstones can provide significant reference to the treatment and prevention of recurrence of gallstones. In the present paper, the progess in the study of the application of modern instrument to the analyse of gallstones was reviewed. These techniques include Raman spectrum, energy-dispersive X-ray microanalysis, Fourier transform infrared spectroscopy and its derivative spectrum, thermogravimetry, differential scanning calorimetry, atomic absorption spectrum, inductively coupled plasma atomic emission spectrometry, high performance liquid chromatography, scanning electronic microscopy, transmission electron microscopy, etc.
		2007 Vol. 27 (01): 202-206 [Abstract] ( 1078 ) PDF (630 KB) ( 446 )

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