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2008 Vol. 28, No. 09 Published: 2008-09-29

光谱学与光谱分析

	1953	The Influence of CO₂ Molecular Relaxation Dynamics on Photoacoustic Signal in Near Infrared (NIR) Range
		LI Jin-song¹,LIU Kun¹,ZHANG Wei-jun¹,CHEN Wei-dong²,GAO Xiao-ming¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-1953-05
		Photoacoustic spectroscopy (PAS) based on tunable diode laser (TDLPAS) is a widely recognised method for its excellent performance in trace gas monitoring and spectral analysis. This spectral technique provides many advantages such as high selectivity and sensitivity, on-line, real time and contactless measurements in a compact experimental arrangement. In the present paper, a resonant PA spectrometer based on a low-power near infrared distributed feedback (DFB) diode laser and a home-made resonant PA cell operating on its first longitudinal mode is developed, and the PA system has the advantage of simple experimental setup, easy operation, and low-cost, room temperature operating, etc. By investigating the performances of the PA cell at first, a good agreement was achieved between experimental and theoretical results; we have systematically investigated the influence of molecular relaxation effect on the PA detection of CO₂ molecule near 1.573 μm, and presented the relevant analysis in theory. The research result shows that the detection sensitivity of the system based on PAS technique can be effectively improved by using the molecular relaxation effect.
		2008 Vol. 28 (09): 1953-1957 [Abstract] ( 1505 ) PDF (1492 KB) ( 703 )

	1958	Effect of Saturation and Velocity Selective Population in 6S_1/2→6P_3/2 Laser Excitation in Cs Vapor Mixed with Ar
		LIU Jing^1,2,ZHOU Heng-wei^2,3,ZHANG Guo-liang^2,3,DAI Kang²,SHEN Yi-fan^2*
		DOI: 10.3964/j.issn.1000-0593(2008)09-1958-04
		The excited state population distribution created by 6S_1/2→6P_3/2 laser excitation in room temperature cesium vapor mixed with Ar was quantitatively analyzed applying absorption and saturation spectroscopy. A simple method for the determination of the excited state population in a single excitation step based on the measurements of the saturated and unsaturated absorption coefficients was tested. When the line profile is nearly pure Doppler and the laser linewidth is much smaller than the inhomogeneous linewidth but comparable with homogeneous linewidth, the fraction N(v_z) of the atoms in the ground state that are able to absorb under inhomogeneous broadening conditions can be determined. The transmission of the medium in the center of the Doppler envelope of the strong h. f. component of the CsD₂ line due to hyperfine pumping alone amounts to ≈5%. The assumption that has been made is that the lower-state hyperfine levels are populated in a statistical ratio. The absorption coefficients were measured for a series of P₈₅₂ powers between 20 μW and 2.5 mW. The velocity selective population density in the 6P_3/2 state was obtained. The population in the 6P_3/2 level obtained from the saturation measurements was also determined by the absorption measurement of narrow spectral line from a Cs hollow cathode lamp. The agreement between the results obtained in these two ways is very good. It was shown that 5% of the ground state population could be transferred to the first excited state by pumping the Doppler broadened line with a single-mode narrow-band laser. The argon caused line broadening and therefore increased the effective pumping rate in the first excitation step. The dependence of the 852 nm line fluorescence intensity was plotted against the population in the 6P_3/2 level determined from the saturation absorption. This can serve as confirmation of the reliability of the method used for the determination of the excited state population.
		2008 Vol. 28 (09): 1958-1961 [Abstract] ( 2086 ) PDF (1195 KB) ( 718 )

	1962	White-Light Source Spectral Domain OCT Based on Partial Spectrum Analysis
		LIN Ling¹,ZHANG Tai-shi^1,2,ZHENG Yu¹,LI Gang¹,REN Zhao¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-1962-06
		In order to enhance the longitudinal resolution and the signal to noise ratio (SNR) of spectral domain OCT(SDOCT), a SDOCT using white light source was developed. By analyzing the relationship among axial total number of pixels in the horizontal direction of CCD, the spectrum of white-light source and longitudinal resolution, a white-light source SDOCT(WSSDOCT) based on partial spectrum analysis was developed and introduced. With proper white light source required and band width for detection selected, the SNR was improved with maximum detecting depth and high longitudinal resolution guaranteed. Experimental results validate the measurement method for the coherence length of the light source, and system & image longitudinal resolution, and also testify the feasibility of WSSDOCT.
		2008 Vol. 28 (09): 1962-1967 [Abstract] ( 2115 ) PDF (2025 KB) ( 798 )

	1968	Analysis of Visible Extinction Spectrum of Particle System and Selection of Optimal Wavelength
		SUN Xiao-gang,TANG Hong,YUAN Gui-bin
		DOI: 10.3964/j.issn.1000-0593(2008)09-1968-06
		In the total light scattering particle sizing technique, the extinction spectrum of particle system contains some information about the particle size and refractive index. The visible extinction spectra of the common monomodal and biomodal R-R particle size distribution were computed, and the variation in the visible extinction spectrum with the particle size and refractive index was analyzed. The corresponding wavelengths were selected as the measurement wavelengths at which the second order differential extinction spectrum was discontinuous. Furthermore, the minimum and the maximum wavelengths in the visible region were also selected as the measurement wavelengths. The genetic algorithm was used as the inversion method under the dependent model. The computer simulation and experiments illustrate that it is feasible to make an analysis of the extinction spectrum and use this selection method of the optimal wavelength in the total light scattering particle sizing. The rough contour of the particle size distribution can be determined after the analysis of visible extinction spectrum, so the search range of the particle size parameter is reduced in the optimal algorithm, and then a more accurate inversion result can be obtained using the selection method. The inversion results of monomodal and biomodal distribution are all still satisfactory when 1% stochastic noise is put in the transmission extinction measurement values.
		2008 Vol. 28 (09): 1968-1973 [Abstract] ( 1379 ) PDF (2048 KB) ( 900 )

	1974	Study of Complex Accelerating Layer in SSCL
		LI Yuan,ZHAO Su-ling^*,XU Zheng,ZHANG Fu-jun,HUANG Jin-zhao,ZHAO De-wei,JIANG Wei-wei,YAN Guang
		DOI: 10.3964/j.issn.1000-0593(2008)09-1974-05
		Solid state cathode luminescence (SSCL) is a bran-new excitation mode. In the device, the inorganic semiconductor is used for electron acceleration. After acceleration the energy of electrons may be raised up so high that these hot electrons have enough energy to induce luminescence in the visible region by impact excitation. It is a new development and application of the traditional CRT theory in solid organic/inorganic electroluminescence device, and it is a new method to improve the EL efficiency. a new phenomenon of co-existence of different mechanisms of excitations in addition to these kinds of excitations.　It is very important that all these effects are additive，amplifying or compensatory and reinforce the luminescence intensity and make the spectrum of luminescence wider.　The accelerating layer of SSCL is the important part of improving the performance of SSCL devices, in which electrons can be accelerated to hot electrons with high energy and obtain electron multiplication. It is the key to improving the performance of SSCL devices, enhancing injecting electrons to increase hot electrons. So we prepared the complex accelerating layer with SiO₂, ZnS and ZnO, giving attention to acceleration and injecting property. Firstly, we respectively prepared the devices with the polymer MEH-PPV and SiO₂, and ZnS, and ZnO, and found that SiO₂/ZnS and ZnO/SiO2 are better. And then contrasting them, we found SiO₂/ZnS is better. It’s because that ZnS and ZnO are similar in injecting property, but ZnS is evidently better than ZnO in electron multiplication. SiO₂ is the primary accelerating layer, and ZnS can lower the voltage barrier by ladder voltage barrier. Finally, we found that this complex accelerating layer, especially in high electric field, can increase the efficiency of SSCL devices by increasing initial electrons and hot electrons.
		2008 Vol. 28 (09): 1974-1978 [Abstract] ( 203 ) PDF (1689 KB) ( 774 )

	1979	Detection of Metal Ions in Water Solution by Laser Induced Breakdown Spectroscopy
		WU Jiang-lai¹,FU Yuan-xia²,LI Ying¹,LU Yuan¹,CUI Zhi-feng²,ZHENG Rong-er^1*
		DOI: 10.3964/j.issn.1000-0593(2008)09-1979-04
		Environmental concerns about the hazardous heavy metals in seawaters have been greatly increased in these years. To evaluate the potential application of laser induced breakdown spectroscopy (LIBS) to on-line toxic metals pollution monitoring in ocean, some experimental investigations with LIBS technique to detect metal ions in CuSO₄ and Pb(NO₃) ₂ water solutions have been carried out in our laboratory. A Q-switched Nd∶YAG laser operating at 532 nm with pulse width of 10 ns and repetition frequency of 10 Hz was utilized to generate plasma on a flowing liquid surface. The ensuing plasma emission was coupled by a quartz lens to a double grating monochromator and recorded with a PMT in conjunction with a computer controlled boxcar integrator. The temporal characteristic of the laser induced plasma and the power dependence of LIBS signal were investigated. The operation condition was improved with the optimal ablation pulse energy and the delay time for LIBS signal detection. The ablation location was varied to achieve better LIBS signal. The optimized ablation location for lead was found to be different from that for copper due to the breakdown of the ambient air. The detection limit of metal ion in water solution under the optimized operation conditions was found to be 31 ppm for copper and 50 ppm for lead. The experimental results proved that the flexibility of LIBS has the potential to be applied to the detection of toxic metals in seawaters, but the limits of detection for each element should be improved further to make a practical application of LIBS in this field.
		2008 Vol. 28 (09): 1979-1982 [Abstract] ( 2783 ) PDF (1322 KB) ( 733 )

	1983	Study on Decomposition Products of Methanol in AC Discharge by Spectroscopy
		SUN Dian-ping,YANG Xiao-hua,LIU Yu-yan,CHEN Yang-qin^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-1983-04
		The intermediate decomposition products of methanol (CH₃OH) in an AC discharge were diagnosticated via concentration modulation spectroscopy. Several main vibrational bands of CO Angstrōm B¹Σ^＋-A ¹Π system, CH A ²Δ-X　²Π system at 430 nm and B ²Σ^－-X ²Π at 390 nm, as well as CHO(329.82 nm), CH₂O(369.8 nm), CH₃O(347.8 nm) and Balmer series spectra of H atom were identified in the region between 300 and 670 nm. Furthermore, the dependences of the emission spectral intensities of the intermediate decomposition products on the discharge voltage and parent gas pressure were investigated in detail. The experiments indicated that the relative population ratio of CO(B ¹Σ^＋) and H increases with increasing discharge voltage more quickly than that of CH(A ²Δ). Several possible reaction passages were given and discussed. Additionally, the vibrational and rotational temperatures of CH(A ²Δ) were determined to be about 4 200 and 1 100 K respectively, and the vibrational temperatures of CO(B ¹Σ⁺) were determined to be about 2 500 K by analyzing the intensity distribution using LIFEBASE computer program. The decomposition mechanism of methanol in the discharge plasma was discussed as well.
		2008 Vol. 28 (09): 1983-1986 [Abstract] ( 462 ) PDF (1258 KB) ( 1513 )

	1987	Compatible Low Target Feature Coatings
		HUANG Wei,GAO Hai-chao,DAI Song-tao^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-1987-03
		Indium tin oxide (ITO) film has low reflectance in near infrared band while high reflectance in infrared band, and its dielectric constant can be described by Drude free-electron model. SiO film has very strong absorption at certain infrared wavelength. By combining them, certain spectral selectivity can be realized. In the present paper, the authors investigated SiO/ITO films in terms of spectrum selectivity, and discussed the influence of film structure on reflection spectrum. By means of the computation of reflection spectrum with characteristic matrix, the authors found that SiO/ITO film can be used as a compatible infrared low target feature coating by properly adjusting film arrangement and selecting suitable film parameters.
		2008 Vol. 28 (09): 1987-1989 [Abstract] ( 2527 ) PDF (1303 KB) ( 1059 )

	1990	Quantitative Analysis of Nucleotide Mixtures with Terahertz Time Domain Spectroscopy
		ZHANG Zeng-yan,XIAO Ti-qiao^*,ZHAO Hong-wei,YU Xiao-han,XI Zai-jun,XU Hong-jie
		DOI: 10.3964/j.issn.1000-0593(2008)09-1990-04
		Adenosine, thymidine, guanosine, cytidine and uridine form the building blocks of ribose nucleic acid (RNA) and deoxyribose nucleic acid (DNA). Nucleosides and their derivants are all have biological activities. Some of them can be used as medicine directly or as materials to synthesize other medicines. It is meaningful to detect the component and content in nucleosides mixtures. In the present paper, components and contents of the mixtures of adenosine, thymidine, guanosine, cytidine and uridine were analyzed. THz absorption spectra of pure nucleosides were set as standard spectra. The mixture’s absorption spectra were analyzed by linear regression with non-negative constraint to identify the components and their relative content in the mixtures. The experimental and analyzing results show that it is simple and effective to get the components and their relative percentage in the mixtures by terahertz time domain spectroscopy with a relative error less than 10%. Component which is absent could be excluded exactly by this method, and the error sources were also analyzed. All the experiments and analysis confirms that this method is of no damage or contamination to the sample. This means that it will be a simple, effective and new method in biochemical materials analysis, which extends the application field of THz-TDS.
		2008 Vol. 28 (09): 1990-1993 [Abstract] ( 1845 ) PDF (1815 KB) ( 657 )

	1994	Relationship between Temperature Range and Wavelength Bandwidth for Multi Band Pyrometry
		FU Tai-ran¹,CHENG Xiao-fang²,ZHONG Mao-hua³,YANG Zang-jian²
		DOI: 10.3964/j.issn.1000-0593(2008)09-1994-04
		In the present paper, based on the linearity spectral emissivity model with two parameters in the narrow investigated waveband, we extend tri-wavelength pyrometry to tri-band pyrometry through waveband measurements of radiation temperature. In tri-band pyrometry, in order to realize the non-distortion measurement, considering the effect of the dynamic range and the minimum sensibility of the sensor on the coupling relation of multi-channel signals，the restriction condition of the effective temperature measurement range is discussed. However, under the assumption of the fixed sensor parameters, the measurement bandwidth of the sensor is an important influencing factor to the effective temperature measurement range in applications of tri-band pyrometry. Then for the measured objects with the known radiation characteristics, the variation of the effective temperature measurement range with the bandwidth of the sensor is presented through numerical simulations. So the required condition of bandwidth of the sensor is theoretically determined through the above discussions of the effective temperature measurement range. The analyses in this paper may provide the necessary theoretical guides to the design of the sensor of radiation temperature measurement.
		2008 Vol. 28 (09): 1994-1997 [Abstract] ( 1963 ) PDF (1089 KB) ( 795 )

	1998	Morphology Determination of Multi-Needle-to-Plate Positive Corona Discharge
		SU Peng-hao,ZHU Yi-min^*,CHEN Hai-feng
		DOI: 10.3964/j.issn.1000-0593(2008)09-1998-05
		Using the method of OES (optical emission spectrum) for measuring N₂ emission spectrum, the distribution of the energetic electrons in multi-needle-to-plate positive corona discharge at atmospheric pressure was investigated, and compared with that in negative corona discharge. According to the distribution of N₂ second positive band’s intensity I_SPB, the outline of the ionization region in glow discharge and the streamer channel were drawn rather accurately. The relationship between I_SPB and the discharge current I in glow discharge can be obtained through the volume integral of the I_SPB. In glow discharge, both the ionization region scale and I_SPB are smaller than in negative corona discharge, the electron avalanche develops farther along the radius direction of needle than along axis direction, and only the arrange along axis direction is enhanced slightly with the rise of the applied voltage U. The integral of I_SPB is second order linear to I. In streamer discharge, the discharge channels develop from needlepoint to the plate, while the shape of the region in which I_SPB is higher looks like a bullet. The density of energetic electron in the channel farther away from the needlepoint is relatively uniform along the axis direction, but first increases then decreases along the radius direction.
		2008 Vol. 28 (09): 1998-2002 [Abstract] ( 1644 ) PDF (1524 KB) ( 686 )

	2003	The Study on the Characteristics and Particle Densities of Lightning Discharge Plasma
		WANG Jie¹,YUAN Ping^1,2*,ZHANG Hua-ming¹,SHEN Xiao-zhi¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2003-06
		According to the wavelengths, relative intensities and transition parameters of lines in cloud-to-ground lightning spectra obtained by a slit-less spectrograph in Qinghai province and Xizang municipality, and by theoretical calculations of plasma, the average temperature and electron density for individual lightning discharge channel were calculated, and then, using Saha equations, electric charge conservation equations and particle conservation equations, the particle densities of every ionized-state, the mass density, pressure and the average ionization degree were obtained. Moreover, the average ionization degree and characteristics of particle distributions in each lightning discharge channel were analyzed. Local thermodynamic equilibrium and an optically thin emitting gas were assumed in the calculations. The result shows that the characteristics of lightning discharge plasma have strong relationships with lightning intensities. For a certain return stroke channel, both temperatures and electron densities of different positions show tiny trend of falling away with increasing height along the discharge channel. Lightning channels are almost completely ionized, and the first ionized particles occupy the main station while NⅡ has the highest particle density. On the other hand, the relative concentrations of NⅡ and OⅡ are near a constant in lightning channels with different intensities. Generally speaking, the more intense the lightning discharge, the higher are the values of channel temperature, electron density and relative concentrations of highly ionized particles, but the lower the concentration of the neutral atoms. After considering the Coulomb interactions between positive and negative particles in the calculations, the results of ionization energies decrease, and the particle densities of atoms and first ionized ions become low while high-ionized ions become high. At a temperature of 28 000 K, the pressure of the discharge channel due to electrons, atoms and ions is about 10 atmospheric pressure, and it changes for different lightning stroke with different intensity. The mass density of channel is lower and changes from 0.01 to 0.1 compared to the mass density of air at standard temperature and pressure (STP).
		2008 Vol. 28 (09): 2003-2008 [Abstract] ( 1920 ) PDF (1728 KB) ( 795 )

	2009	Hyperspectral Remote Sensing Image Classification Based on Radical Basis Function Neural Network
		TAN Kun,DU Pei-jun
		DOI: 10.3964/j.issn.1000-0593(2008)09-2009-05
		Based on the radial basis function neural network (RBFNN) theory and the specialty of hyperspectral remote sensing data, the effective feature extraction model was designed, and those extracted features were connected to the input layer of RBFNN, finally the classifier based on radial basis function neural network was constructed. The hyperspectral image with 64 bands of OMIS Ⅱ made by Chinese was experimented, and the case study area was zhongguancun in Beijing. Minimum noise fraction (MNF) was conducted, and the former 20 components were extracted for further processing. The original data (20 dimension) of extraction by MNF, the texture transformation data (20 dimension) extracted from the former 20 components after MNF, and the principal component analysis data (20 dimension) of extraction were combined to 60 dimension. For classification by RBFNN, the sizes of training samples were less than 6.13% of the whole image. That classifier has a simple structure and fast convergence capacity, and can be easily trained. The classification precision of radial basis function neural network classifier is up to 69.27% in contrast with the 51.20% of back propagation neural network (BPNN) and 40.88% of traditional minimum distance classification (MDC), so RBFNN classifier performs better than the other three classifiers. It proves that RBFNN is of validity in hyperspectral remote sensing classification.
		2008 Vol. 28 (09): 2009-2013 [Abstract] ( 1480 ) PDF (2105 KB) ( 651 )

	2014	Sensitivity Study of a Revised Leaf Photochemical Reflectance Index(PRI)
		WU Chao-yang^1,2,NIU Zheng¹,TANG Quan^1,2
		DOI: 10.3964/j.issn.1000-0593(2008)09-2014-05
		Photochemical reflectance index (PRI) defined as a normalized difference index using two narrow reflectance bands at 531 and 570 nm that are closely related to xanthophyll cycle pigment content has been successfully used to estimate leaf photosynthetic light use efficiency (LUE) across species which vary in water content and nitrogen concentration. Previous research demonstrated that a consistent relationship could be established between PRI and LUE calculated from gas exchange measurements at the leaf, small canopy, and full forest or crop canopy scales. However, a number of problems, such as the saturation of PRI when LUE exceeds 0.03 mol CO₂ mol^-1PPED(photosynthetic photon flux density) and disjunctive relationships of PRI and LUE in seasonal changes, still existed and need to be handled in order to evaluate LUE more accurately. A sensitivity study of a revised PRI with four leaf parameters was performed based on PROSPECT model in the present article to study the effects of different biochemical concentrations on leaf SR-PRI (simple ratio PRI). Sensitivity study proved that leaf SR-PRI is more sensitive to leaf mesophyll structure parameter (N) and chlorophyll a+b content (c_ab) than parameters of dry matter content (cm) and equivalent water thickness (c_w), indicating that leaf mesophyll structure parameter (N) and chlorophyll a+b content (c_ab) should be especially considered when acquiring leaf SR-PRI. And changes in the two parameters would cause large variation in SR-PRI which would reduce the precision for estimating light use efficiency. Validation study of SR-PRI was carried out in the analysis and the results proved that SR-PRI can also be a feasible index of estimating LUE for four species of plants with correlation coefficients better than that of PRI and LUE. The advantage of SR-PRI compared to PRI is its much clearer physical meaning and its sensitivity to the changes in reflectance at 531 nm which serves as a core parameter to evaluate light use efficiency.
		2008 Vol. 28 (09): 2014-2018 [Abstract] ( 2552 ) PDF (1319 KB) ( 599 )

	2019	The Theory and the Influential Factors of Laser Induced Breakdown Spectroscopy
		YUAN Dong-qing,ZHOU Ming^*,LIU Chang-long,YAN Feng,DAI Juan,REN Nai-fei
		DOI: 10.3964/j.issn.1000-0593(2008)09-2019-05
		The laser-induced breakdown spectroscopy (LIBS) technique, due to its lack of pretreatment of the material and the speed of analysis, has shown a great potential for a wide range of industrial applications. The current situation of application and study of LIBS are reviewed. Meanwhile, the laser used to explode the Cr and Co film had a pulse duration of 10 ns, the highest single pulse energy was 50 mJ at a repetition rate of 20 Hz, and a wavelength of 1 064 nm. When the excitation energy was less than 10 mJ, there was little difference in spectral signal excited by different energy for Cr film. Otherwise, the signal showed obvious change when excitation energy was higher than 10 mJ. The principle, characters, history and recent trend of LIBS were introduced systematically. The factors influencing LIBS performances, including the characteristic of laser, delay time, experiment setting, the kind and the pressure of surrounding. Gas, single or dual pulse, and the analysis method were analyzed.
		2008 Vol. 28 (09): 2019-2023 [Abstract] ( 420 ) PDF (1279 KB) ( 940 )

	2024	Study of Lanthanide Complexes-Doped Silica Gels and the Co-fluorescence Effect by Photoacoustic Spectroscopy in Situ
		YANG Yue-tao,CHEN Wan-song,LI Jun-jia,ZHANG Shu-yi
		DOI: 10.3964/j.issn.1000-0593(2008)09-2024-04
		Silica matrices, due to their good optical, thermal and chemical properties, are suitable candidates for the hosts of luminescent lanthanide complexes. However, lanthanide complexes would be unstable in the most common sol-gel precursor solution. It is important to study the coordination environment of lanthanide ions and the formation of lanthanide complexes in silica gels. In the present work, lanthanide complexes Ln(Sal)₃·H₂O(Ln³⁺∶La³⁺, Nd3+ and Tb³⁺; Sal: salicylic acid) were incorporated into silica gels via a sol-gel process. PA technique was firstly used to monitor the formation of lanthanide complexes in silica gels. Upon heat treatment at 110 ℃, PA intensity of the ligand increased for Tb³⁺, La³⁺ and Nd³⁺ complexes in silica gels, respectively, while this difference could not be observed for the wet gels (samples without heat treatment). By comparison with fluorescence spectra, experimental data indicate that lanthanide complexes decompose in wet gels. The formation of lanthanide complexes in silica gels is discussed from two aspects: radiative and nonradiative processes. Co-luminescence effect was found for lanthanide complexes with aromatic carboxylic acid doped silica gels for the first time. For Tb_0.8Ln_0.2(Sal)₃·H₂O (Ln³⁺∶Gd³⁺ or Nd³⁺)-doped silica gel, the addition of Gd³⁺ increased the luminescence efficiency of Tb³⁺, while the luminescence of Tb3+ was quenched remarkably with the addition of Nd³⁺. Possible mechanism behind the co-luminescence phenomena of lanthanide complexes-doped silica gels is discussed.
		2008 Vol. 28 (09): 2024-2027 [Abstract] ( 480 ) PDF (1400 KB) ( 739 )

	2028	Structure and Luminescence Properties of ZnO Films Prepared by RF Magnetron Sputtering
		XU Xiao-li¹,MA Shu-yi^1*,CHEN Yan²,ZHANG Guo-heng²,SUN Xiao-jing¹,WEI Jin-jun¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2028-05
		ZnO thin films with c-axis preferred orientation were prepared on glass substrates by radio frequency co-reactive magnetron sputtering technique, and the effect of the substrate temperature on the microstructure and the luminescence properties of the ZnO thin films was studied by X-ray diffractometry (XRD), scanning probe microscopy（SPM）and fluorescence spectrophotometer. The XRD patterns of the four ZnO samples prepared at different substrate temperatures were measured by XRD. The figure which embodied the relation of full wave at half maximum(FWHM) and grain size of the four samples as a function of substrate temperatures was given out, too. It was concluded that the crystallization of the samples was promoted by appropriate substrate temperatures, the results consist with the AFM microscopic photos of the two samples. In addition，the photoluminescence(PL) spectra of the four samples were measured at room temperature. Violet peak located at about 400 nm, blue peak located at 446 nm and green peak located at about 502 nm were observed from the PL spectra of the four samples. With the rise of the growth temperature, the intensity of the violet peak and the blue peak increased sharply, and the intensity of green peak increased at the same time. It was concluded that the violet peak may correspond to the exciton emission, the blue peak was mainly attributed to the interstitial Zinc(Zn_i) and the green emission peak must be related to the deep level defects of oxygen (V_O) in the crystal of ZnO films. Absorption property of the samples were researched by UV spectrophotometer, and the absorption spectrum of the film deposited at 150　℃ and the (αhν)² versus hν of the ZnO thin film were given. From the absorption spectrum, it could be observed that the spectroscopic data in UV region showed split peak and shoulder peak. With analysis of the absorption spectrum of the sample deposited at 150　℃, it was proved that our analysis of the photoluminescence mechanism was reasonable.
		2008 Vol. 28 (09): 2028-2032 [Abstract] ( 2761 ) PDF (1510 KB) ( 631 )

	2033	Comparative Study on Photoluminescence from Ge/PS and Ge/SiO₂ Thin Films
		SUN Xiao-jing,MA Shu-yi^*,WEI Jin-jun,XU Xiao-li
		DOI: 10.3964/j.issn.1000-0593(2008)09-2033-05
		Ge thin films were deposited on porous silicon substrate using the RF magnetron sputtering technique with Ge target and sputtering for 4, 8 and 12 min respectively. Ge-containing silicon oxide thin films were deposited on n-type Si substrate using the RF magnetron sputtering technique with a Ge-SiO₂ composite uarget and with Ge wafer in the target having percentage areas of 5%, 15% and 30%, respectively. These samples were annealed in a N₂ atmosphere at 300 ℃, 600 ℃ and 900 ℃ for 30 min. A comparative study of photoluminescence from Ge/PS and Ge/SiO₂ thin films is reported. The FTIR was used to research the structure of Ge/PS thin films. The FTIR showed that the Si—Hx(x=1-3) absorption peaks disappeared, but Si—O—Si, Si₂O—SiH and H₂Si—O₂ absorption peaks were enhanced, and the surfaces of Ge/PS thin films have formed a goodish integrated cross-linked Si—O—Si network. It was indicated that Ge thin films deposited on porous silicon can improve the level of oxidation. At the same time, the Si—O and Si—Si bonds on the surface of PS thin films were broken, but some new bands such as Si—Ge, Ge—Ge and Ge—O formed. As the results of the experiment showed that the photoluminescence peaks of Ge/PS thin films were located at 517 nm, the sputtering time influenced the intensity of light-emission remarkably and with increasing the thickness of Ge layer coated, the intensity of light-emission dropped abruptly. When Ge sputtered for 12 min, the photoluminescence peak almost disappeared. The photoluminescence peaks of Ge/SiO₂ thin films were located at 580 nm, the percentage areas of Ge wafer in the target influenced the intensity of light-emission obviously, and with increasing the percentage area of Ge wafer in the sputtering target, the photoluminescence intensity was reduced greatly. Though with increasing the annealing temperature of different thin films, all the photolu minescence spectra from Ge/PS and Ge/SiO₂ thin films changed scarcely, and our explanation is that Ge-related defects at the interfaces between PS and the Ge nanocrystals embedded in the pores were responsible for the photoluminescence of Ge/PS thin films. However, the photoluminescence of Ge/SiO₂ thin films’ light emission originates from luminescence centers in Si oxide films. Ge/PS and Ge/SiO₂ thin films both contained Ge nanocrystals and silicon oxide layer, and have similar structure, however, they have different mechanism behind photoluminescence. The experimental results have been explained reasonably.
		2008 Vol. 28 (09): 2033-2037 [Abstract] ( 2086 ) PDF (1554 KB) ( 1063 )

	2038	Formation of W/O Microemulsions in TBP- Pd(Ⅱ)-HCl Extraction System and Spectroscopic Research on the Evolution of Solution Aggregation Structure
		HUANG Kun¹,QI Jian¹,LIU Xue-xin²,LIU Yu-feng¹,LI Wei-hong¹,YANG Zhan-lan¹,WENG Shi-fu¹,XU Yi-zhuang¹,WU Jin-guang^1*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2038-06
		The formation of W/O microemulsions in the extraction system TBP-Pd(Ⅱ)-HCl was investigated. The solution structural evolution of the palladium loaded organic phases, with the variation in the content of acid into the organic phases, was characterized by various spectroscopic techniques such as DLS, FTIR and ³¹P-/¹H NMR. The results indicated that (1) the extraction behaviors of palladium was related to the formation of W/O microemulsion structure in the loaded organic solutions. Because of the co-extraction of hydrochloric acid, there formed the microscopic aggregates in the loaded organic phases. (2) The variation in the HCl content in organic phase resulted in corresponding changes in solution structure. With the increase in the HCl content, the average radii of nanoscopic aggregates in the organic phases increased and then decreased. The extraction of HCl into the organic phase exhibited a distinct impact on the O—H stretching vibration and O—H—O bending vibration of water molecules in the microscopic W/O micelles. FTIR spectra of the organic phase saturated with acids show that the broad band of O—H stretching vibration of water extended to a very wide range and overlaped with the C—H stretching vibration bands. The higher the acid concentration in the organic phase was, the greater the overlapping. On the other hand, it was also observed that a remarkable change appeared in the O—H—O bending vibration of water and the stretching vibration of PO in TBP molecules shifted to lower frequency. With the increase in acid content in the TBP organic phases, the observed 31P NMR chemical shifts decreased and varied to up-field; whereas the ¹H NMR chemical shift of H⁺ increased and even became larger than that of deuterium chloride-d at a lower frequency field. The changes in δ³¹P to opposite direction of δ_H+ means that TBP molecules were associated with acid protons and water molecules in microemulsion pools to form RP=O·H⁺ or RP=O·H₃O⁺, and then interacted with PdCl^2-₄ complex ions, which finally led to the extraction of palladium into the organic phase. (3) When forming the W/O reversed micelles/microemulsions, the concentration of acid within the microscopic micelles was even higher than that of saturated concentrated hydrochloric acid. It was the microscopic structural changes in organic phase microemulsion “water pool” that resulted in the corresponding variations in the palladium extraction behaviors.
		2008 Vol. 28 (09): 2038-2043 [Abstract] ( 2138 ) PDF (2029 KB) ( 510 )

	2038	Formation of W/O Microemulsions in TBP- Pd(Ⅱ)-HCl Extraction System and Spectroscopic Research on the Evolution of Solution Aggregation Structure
		HUANG Kun¹,QI Jian¹,LIU Xue-xin²,LIU Yu-feng¹,LI Wei-hong¹,YANG Zhan-lan¹,WENG Shi-fu¹,XU Yi-zhuang¹,WU Jin-guang^1*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2038-06
		The formation of W/O microemulsions in the extraction system TBP-Pd(Ⅱ)-HCl was investigated. The solution structural evolution of the palladium loaded organic phases, with the variation in the content of acid into the organic phases, was characterized by various spectroscopic techniques such as DLS, FTIR and ³¹P-/¹H NMR. The results indicated that (1) the extraction behaviors of palladium was related to the formation of W/O microemulsion structure in the loaded organic solutions. Because of the co-extraction of hydrochloric acid, there formed the microscopic aggregates in the loaded organic phases. (2) The variation in the HCl content in organic phase resulted in corresponding changes in solution structure. With the increase in the HCl content, the average radii of nanoscopic aggregates in the organic phases increased and then decreased. The extraction of HCl into the organic phase exhibited a distinct impact on the O—H stretching vibration and O—H—O bending vibration of water molecules in the microscopic W/O micelles. FTIR spectra of the organic phase saturated with acids show that the broad band of O—H stretching vibration of water extended to a very wide range and overlaped with the C—H stretching vibration bands. The higher the acid concentration in the organic phase was, the greater the overlapping. On the other hand, it was also observed that a remarkable change appeared in the O—H—O bending vibration of water and the stretching vibration of PO in TBP molecules shifted to lower frequency. With the increase in acid content in the TBP organic phases, the observed 31P NMR chemical shifts decreased and varied to up-field; whereas the ¹H NMR chemical shift of H⁺ increased and even became larger than that of deuterium chloride-d at a lower frequency field. The changes in δ³¹P to opposite direction of δ_H+ means that TBP molecules were associated with acid protons and water molecules in microemulsion pools to form RP=O·H⁺ or RP=O·H₃O⁺, and then interacted with PdCl^2-₄ complex ions, which finally led to the extraction of palladium into the organic phase. (3) When forming the W/O reversed micelles/microemulsions, the concentration of acid within the microscopic micelles was even higher than that of saturated concentrated hydrochloric acid. It was the microscopic structural changes in organic phase microemulsion “water pool” that resulted in the corresponding variations in the palladium extraction behaviors.
		2008 Vol. 28 (09): 2038-2043 [Abstract] ( 692 ) PDF (2029 KB) ( 871 )

	2044	In-situ FTIR Study of CO Adsorption on Co-Mo/Al₂O₃ Hydrodesulphurization Catalysts
		YUAN Hui,SUN Shu-ling,ZHENG Ai-guo,XU Guang-tong^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2044-04
		Due to the implementation of more stringent specifications in sulfur content for diesel oil, a deep understanding of the active phase of Co-Mo/Al₂O₃ catalysts is necessary to the development of ultra-deep hydrodesulphurization (HYD) catalysts. A series of reductive Co-Mo/Al₂O₃ catalysts prepared in the lab and the high-active industrial catalyst (G) were studied by in-situ FTIR using CO as probe molecule. The showed a good relationship with the desulphurization activities of the catalysts. With the increase in MoO₃ and CoO loading, the desulphurization activity of catalyst increases, and the infrared spectrum changes with the amount of CO adsorbed on the catalyst. There is a new band at 2 179　cm^-1 when the MoO₃ loading is up to 20% and CoO up to 4.16%. According to the activities of the catalysts, the appearance of this new band suggests that the catalyst has higher hydrodesulphurization (HYD) activity. Compared with the infrared spectrum of CO on the catalyst of the same MoO₃ and CoO loading by the common preparation method, the catalyst prepared with chelating agents has higher HYD activity and its band at 2　179　cm^-1 is stronger. The infrared spectrum of CO adsorbed on optimum Co-Mo/Al₂O₃ catalyst prepared in the lab is similar to the highly active industrial catalyst (G). Their bands at 2　179　cm-1 are both very strong and their HYD activities are both higher than the others. Thus, the appearance and the increase of the band at 2　179　cm^-1 indicate the increase in the HYD activity of Co-Mo/Al₂O₃ catalysts to some extent, which could be an effective tool for developing ultra-deep HYD catalysts.
		2008 Vol. 28 (09): 2044-2047 [Abstract] ( 196 ) PDF (1428 KB) ( 723 )

	2048	Investigation on Effect of PVP on Morphological Changes and Crystallization Behavior of Nylon 6 in PVP/Nylon 6 Blends by FTIR Spectroscopy
		HAO Chao-wei^1,3,4,ZHAO Ying^1*,LI Wan-li^1,3,XU Yi-zhuang²,WANG Du-jin¹,XU Duan-fu¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2048-05
		Temperature-dependent FT IR, DSC and POM were used to investigate the interaction between PVPK90 and nylon 6 molecules and its effect on the thermal behavior and morphology of nylon 6. DSC results suggest that the melting and crystallization behavior of nylon 6 are obviously influenced by the introduction of PVP. With the PVP content increasing, the crystallization temperature, melting temperature and the crystallinity of nylon 6 decreased, and eventually, both the exothermal and endothermic peaks could not be observed when the PVP content reached 80%, implying that the aggregation structure of nylon 6 changes from the crystalline state to the amorphous state. FTIR provided the evidence of the interaction between PVP and nylon 6 molecules. With the increase in PVP content, the peak position of ν_N—H of nylon 6 gradually shifts from 3　311 to 3　300 cm^-1 with 90% content of PVP, and the half height peak width is broadened correspondingly. Three peaks were obtained in the carbonyl group absorption band for PVPK90/Nylon 6(50/50) and PVPK90/Nylon 6(80/20) blends from the curve-fitting results. With the addition of PVP molecules, the ν_CO of nylon 6 shifts to higher wave number and a new peak located at about 1　620 cm^-1 appears and its peak area increases with the content of PVP. The above spectral variation of ν_CO and ν_N—H in the PVPK90/Nylon 6 blend indicates that the carbonyl group of PVP could form H-bonding with N—H group of nylon 6 molecule, and partially destroy the hydrogen bonding between the nylon 6 molecules. POM results showed that the spherulitic size of nylon 6 decreases with the increment of the PVP and becomes more imperfect, and when the PVP content reaches 80%, no spherulites could be observed. This phenomenon is attributed to the molecular interactions between the PVP and the nylon 6 molecules, which weakens the free mobility of nylon 6 chains to form regular packing and eventually induces the change in the spherulitic morphology of nylon 6. In summary, the molecular interactions between the carbonyl group of PVP molecules and N—H group of nylon 6 molecules account for the above changes in the crystalline structure and the morphology of nylon 6 in the blends.
		2008 Vol. 28 (09): 2048-2052 [Abstract] ( 814 ) PDF (1651 KB) ( 832 )

	2053	Preparation of Palladium Nanoparticles by Laser Ablation and Its Spectral Properties Study
		DING Li¹,GUO Hao¹,ZHANG Jian-qi²,ZHANG Yan-ke¹,HE Ting-chao¹,MO Yu-jun^1*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2053-05
		Palladium colloid was obtained via laser ablation under 1 064 nm excitation from an Nd∶YAG laser in redistilled deionized water. The Pd colloid consisted of “chemically pure” Pd nanoparticles, which were free from extraneous ions or other chemicals since no chemical reaction was involved in the preparation. There was no characteristic peak in UV/Vis spectrum of Pd colloid in the region of 200-800 nm. Hence, in contrast to the Au and Ag nanoparticles, the average size and the size distribution of the Pd nanoparticles could not be estimated from their UV/Vis adsorption spectral features. After the laser ablation, one drop (50 μL) of Pd colloid was deposited on the aluminum plate and dried naturally to form the Pd island films. This method resulted in the formation of a rough surface with a large number of separated Pd islands 20 μm in diameter. According to the SEM measurement, Pd nanoparticles with the average diameter of ～200 nm formed Pd island films. Surface-enhanced Raman scattering (SERS) activity of Pd colloid and Pd island films was evaluated by using 4-mercaptopyridine (4MPY) as a probe molecule. The SERS study revealed that Pd island film was a highly efficient SERS-active substrate while there was no SERS signal observed from Pd colloid. The surface enhancement factor of Pd island films for 4MPY was estimated, which could reach values as high as 8.7×10⁴ under 632.8 nm excitation. This value was comparable with the largest value of 10⁴ cited in the literature. The SERS spectra of 4MPY molecules adsorbed on Pd surface showed that 4MPY molecules probably tilted from the Pd nanoparticle surface-via sulphur. By contrast, SERS spectrum of 4MPY adsorbed on Ag island films was recorded and analysed. From SERS data it was inferred that 4MPY molecules assumed the standing up orientation on the silver nanoparticle surface. It could be concluded that the 4MPY molecules were more perpendicular to the silver nanoparticle surface than to the Pd nanoparticle surface.
		2008 Vol. 28 (09): 2053-2057 [Abstract] ( 2052 ) PDF (1390 KB) ( 571 )

	2058	DSC and FTIR Study of Adsorbed Lysozyme on Hydrophobic Surface
		LEI Zu-meng¹,GENG Xin-peng^1*,DAI Li¹,GENG Xin-du²
		DOI: 10.3964/j.issn.1000-0593(2008)09-2058-04
		During a process of hen egg white lysozyme adsorption and folding on a moderately hydrophobic surface (PEG-600), the effects of salt((NH₄)₂SO₄) concentrations, surface coverage and denaturant(guanidine hydrochloride,GuHCl) concentrations on thermal stability and the changes in the molecular conformation of adsorbed native and denatured lysozyme without aqueous solution were studied with a combination of differential scanning calorimetry (DSC) with FTIR spectroscopy. The results showed that temperature due to endothermic peaks was reduced and the disturbance increased at higher temperature with the increase in salt concentration and surface coverage of adsorbed protein. β-Sheet and β-Turn stucture increased while α-Helix structure decreased after the adsorption.　The peaks corresponding to both C—C stretching frequency in 1　400-1　425 cm^-1and amide I band frequency in 1　650-1　670 cm^-1 of adsorbed denatured lysozyme can be detected in FTIR spectra while that due to amide I band frequency of adsorbed native lysozyme almost can’t be observed. Adsorption resulted in structural loss of adsorbed native lysozyme, whose performance was less stable.
		2008 Vol. 28 (09): 2058-2061 [Abstract] ( 2420 ) PDF (1524 KB) ( 886 )

	2062	Research on Predicting the Qualities of Stem of Alfalfa Hay by Near Infrared Reflectance Spectroscopy
		QI Xiao¹,HAN Jian-guo^1*,NIE Zhi-dong¹,LIU Fu-yuan²,ZHANG Ze-hong²,LI Man-li¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2062-05
		The present research was attempted to predict the qualities of stem of alfalfa (Medicago sativa L.) without separation from the whole plant by near infrared reflectance spectroscopy and discussed the feasibility of using the near infrared reflectance spectra information of the whole object to predict the qualities of a certain part. Sixty six whole alfalfa hay samples of separated stems from leaves were collected and they were distinguishing by years, cultivars, cuts and growing periods. There were 138 calibration samples and 60 validation samplers. Fourier transform- near infrared reflectance spectroscopy(FT-NIRS) and partial least square(PLS) were used to set up the calibration models of stem’s crude protein (CP), neutral detergent fiber(NDF), acid detergent fiber (ADF), crude ash (CA) and in vitro digestible dry matter (IVDDM) contents. All models showed great calibration and prediction performances except the one of stem’s NDF content. The correlation coefficients of cross-validation (r_CV) were between 0.852 3 and 0.900 7, the root mean square errors of cross-validation (RMSECV) were between 0.72% and 3.96% and the correlation coefficients of NIRS values and chemical values (r) were between 0.925　5 and 0.951 2. However, r_CV, RMSECV and r of the model of stem’s NDF content were 0.821 4, 3.70% and 0.902 0, respectively. It wasn’t exact enough and would be used for rough predicting only. All of the results showed that near infrared reflectance spectra information of whole alfalfa hay could be used to predict some components of its stem exactly. It was the maiden attempt of using near infrared reflectance spectra information of the whole objects to evaluated the qualities of a certain part.
		2008 Vol. 28 (09): 2062-2066 [Abstract] ( 2061 ) PDF (1391 KB) ( 890 )

	2067	Theory and Correction of Interference Fringe in Static Fourier Transform Spectrometer
		LIN Ling,REN Zhao,LI Gang^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2067-06
		According to the requirement of spectrometer design, including high-speed, simplified structure, convenient fabrication and real-time measurement, a static Fourier transform spectrometer(SFTS) was introduced and its theory was derived and analyzed. In order to solve the correction problem of tilting interference fringe in the adjustment process of SFTS, mathematical derivation of the model of interference fring was systematically summarized. Meanwhile, the mathematical relationship between the rotation parameter of tilting mirror and the minimum clear aperture and that between the rotation parameter of tilting mirror and the rotation parameter of interference fringe were obtained by mathematical derivation. Besides, by using Matlab, the model of interference fringe was simulated, and the correction formula for monochromatic light was proofed. The simulation results show that the precision of tilting angle correction is 1.4%, suggesting that it is a feasible and effective correction method.
		2008 Vol. 28 (09): 2067-2072 [Abstract] ( 1489 ) PDF (1714 KB) ( 780 )

	2073	Study on Intermolecular Interaction between 4-Aminopyridine and Methacrylic Acid Using Two Dimensional FTIR Spectroscopy
		LIU Xue-yong¹,ZHOU Tao^２,CHANG Kun¹,WANG Lin¹,ZHENG Min-xia¹, LUO Yi-wei¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2073-04
		A two-dimensional infrared (2D IR) correlation spectroscopy technique has been introduced to study the intermolecular interaction between 4-aminopyridine and methacrylic acid. The type and relationship of the bond between 4-aminopyridine and methacrylic acid molecule could not be characterized directly using the one-dimensional FTIR spectroscopy. On the contrary, the interactions between 4-aminopyridine and methacrylic acid molecule were determined using 2D IR correlation spectroscopy. The synchronous cross peaks exist between stretching vibrations of hydroxyl group of methacrylic acid at 1 298 and 1 202 cm^-1 and CN group of 4-aminopyridine at 1 531 cm^-1, and between carbonyl group of methacrylic acid at 1 705 cm^-1 and N—H group of 4-aminopyridine at 3 382 and 3 212 cm^-1, respectively. According to the two-dimensional correlation rules, the interactions of static electricity and hydrogen bonding exist between 4-aminopyridine and methacrylic acid molecule. Such successful applications demonstrate that two-dimensional infrared correlation spectroscopy may be a convenient and effective means in the study of the intermolecular and intramolecular interaction.
		2008 Vol. 28 (09): 2073-2076 [Abstract] ( 1837 ) PDF (1440 KB) ( 993 )

	2077	Study on the Method of FTIR Spectrum Non Linear Multiple Point Calibration
		LIU Zhi-ming,GAO Min-guang,LIU Wen-qing,LU Yi-huai,ZHANG Tian-shu,XU Liang,WEI Xiu-li
		DOI: 10.3964/j.issn.1000-0593(2008)09-2077-04
		FTIR Technique has developed rapidly since 1980s, and has become increasingly important. It has been used in a variety of fields. In order to make sure the result is of nicety, the authors should manipulate the FTIR spectrometer accurately and study its instrument response function and calibration arithmetic. Because the instrument response of the detector of FTIR spectrometer is different at different wave band, the no-calibrated spectrum was ruleless. Without calibration, we can not obtain the absolute intensity, even relative intensity. There are two calibration arithmetics: Linear calibration arithmetic corresponding linear detector and non-calibration arithmetic corresponding non-linear detector. The present paper gave the arithmetic of linear calibration and non-linear multiple point calibration. The authors measured several blackbody spectra at some different temperatures. Some of them were used for calibration and one was used to test the result of calibration. The result indicated that this method of non-linear multiple point calibration was very good. The relative arbitrary between calibrated blackbody spectrum and standard blackbody spectrum was near 0.2%, while the maximum was still lower than 0.4%.
		2008 Vol. 28 (09): 2077-2080 [Abstract] ( 1397 ) PDF (1726 KB) ( 1034 )

	2081	A Study of the Diversity of Different Geographical Populations of Emmenopterys Henryi Using FTIR Based on Principal Component Analysis and Cluster Analysis
		ZHANG Zhi-xiang¹,LIU Peng^1*,KANG Hua-jing¹,LIAO Cheng-chuan²,CHEN Zi-lin³,XU Geng-di¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2081-06
		Emmenopterys henryi, an endemic species in China, has been one of the grade Ⅱ national key conservation rare and endangered plants. The spectra of stem and leaf of Emmenopterys henryi sampling from seven different geographical populations were determined by Fourier transform infrared (FTIR) spectrometry with OMNI-sampler directly, fast and accurately. A positioning technology of OMNIC E.S.P.5.1 intelligent software and ATR correction was used. It was scanned for the background before the determination of every example. The peak value and absorbance were ascertained using a method of baseline correction in infrared spectra. Based on the indices of wave number-absorbance from 721 to 3　366 cm^-1, the differences of these infrared spectra were compared by the methods of principal component analysis (PCA) and cluster analysis. Results showed that there were some differences in FTIR spectra between stem and leaf of Emmenopterys henryi, so it was better to study the diversity of different geographical populations through using the leaf, for which the distance coefficient of clustering analysis plot and the position relationship of principal component analysis three-dimensional plot of the seven populations were bigger. Being far away from others populations, the infrared spectra of Emmenopterys henryi in Dapan Mountain and Gutian mountain had special characteristics, indicating significant diversity. At the same time, the infrared spectra of Jiulong Mountain, Wuyan Mountain and Songyang populations had their own characteristics. There were no significant difference in the position relationship of three-dimensional plot and distance coefficient of clustering analysis plot, showing that the chemical compositions of these three populations were of little difference, and the diversity differentiation was not remarkable. However, there were some significant differences in populations’ diversity between Fengyang Mountain and Wencheng. It was indicated that the chemical composition of Emmenopterys henryi was affected by the special geographic positions and environment conditions. In a word, the remarkable differences in the chemical compositions of Emmenopterys henryi populations were consistent with their geographic distance far and near. The results also showed that there was good correspondence between the position relationship of PCA three-dimensional plot and distance coefficient of clustering analysis plot of the samples based on the indices of wave number-absorbance of FTIR and their geographic distance relationship. Therefore, FTIR can be used widely for studying and protecting the rare and endangered plants. It is not only provides the theoretic base of community ecology and ecosystem ecology of Emmenopterys henryi, but also has important theory and realistic meaning for exploring the mechanism of species endangerment, protecting and proliferating the populations of Emmenopterys henryi.
		2008 Vol. 28 (09): 2081-2086 [Abstract] ( 2146 ) PDF (1647 KB) ( 863 )

	2087	Research on Shortwave NIR Spectroscopy and Its Application to in Situ Flammable Liquid Detection
		WU Juan,DU Zhen-hui^*,LIU Jin,XU Ke-xin
		DOI: 10.3964/j.issn.1000-0593(2008)09-2087-03
		Fast, accurate and highly effective detection in situ was important to the control of illegal transportation and the use of liquid state dangerous goods. The present article used the strong penetrability of the shortwave near-infrared ray to the packing material and liquid and measured the absorption spectra of some flammable liquids such as the absolute ethyl alcohol, absolute methanol, ammonia, turpentine, gasoline, diesel oil, petroleum etc and the partial liquors in the short wavelength region of NIR (667-1 000 nm). The primitive spectral data were standardized and compressed, and then, the characteristic wavelength of the absorption spectra was analyzed using the SPSS statistics software. A math model for flammable liquid distinction was established based on the designated characteristic wavelength and can correctly detect flammable liquid using the absorbency of 3 wave-lengths(881, 935 and 981 nm). According to the above the authors may construct the inexpensive spectrum instrument to check the flammable liquid non-destructively in situ.
		2008 Vol. 28 (09): 2087-2089 [Abstract] ( 640 ) PDF (1153 KB) ( 946 )

	2090	Research on the Sugar Content Measurement of Grape and Berries by Using Vis/NIR Spectroscopy Technique
		WU Gui-fang^1,2,HUANG Ling-xia^3,HE Yong^1
		DOI: 10.3964/j.issn.1000-0593(2008)09-2090-04
		Aiming at the nonlinear correlation characteristic of Vis/NIR spectra and the corresponding sugar content of grape and berries, the Vis/NIR spectra of grape and berries were obtained by diffusion reflectance. A mixed algorithm was presented to predict sugar content of grape and berries. The original spectral data were processed using partial least squares (PLS), and three best principal factors were selected based on the reliabilities. The scores of these 3 principal factors would be taken as the input of the three-layer back-propagation artificial neural network (BP-ANN). Trained with the samples in calibration collection, the BP-ANN predicted the samples in prediction collection. The values of decision coefficient (r²), the root mean squared error of prediction (RMSEP), and bias were used to estimate the mixed model. The observed results using PLS-ANN (r²=0.908, RMSEP=0.112 and Bias=0.013) were better than those obtained by PLS (r²=0.863, RMSEP=0.171, Bias=0.024). The result indicted that the detection of internal quality of grape and berries such as sugar content by nondestructive determination method was very feasible and laid a solid foundation for setting up the sugar content forecasting model for grape and berries.
		2008 Vol. 28 (09): 2090-2093 [Abstract] ( 2021 ) PDF (1150 KB) ( 813 )

	2094	Near Infrared Determination of Dry Hay Quality in Oats
		ZHAO Xiu-fang^1,2,LI Wei-jian³,HUANG Wei¹,CAO Zhe¹,RONG Yu-ping^1*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2094-04
		In the present paper, the analysis of the content of CP, NDF and ADF in the whole dry hay of oats was carried out by using near infrared reflectance spectroscopy (NIRS) technique, and in combination with the partial least square (PLS) regression algorithm the calibration analysis was performed at the same time . The results showed that the calibration models developed by the spectral data pretreatment of the second derivative+Norris smoothing, the multivariate scattering correction+second derivative+Norris smoothing, and the multivariate scattering correction were the best for CP, NDF and ADF with the same spectral regions (9 668-4 518, 9 550-5 543, 8 943-4 042 cm^-1). A1l these models yielded coefficients of determination of calibration (r²_cal) for CP and NDF that are both higher than 0.95, and each error lower than 3%, approached the chemical analysis precision. Moreover, the values of (RPD) of CP and NDF were both higher than 3.0. The results of these studies indicate that the contents of CP and NDF can be used to measure various samples in screening and evaluating quality constituents of dry hay in oats. While the effect of ADF modelling was poorer, the coefficients of determination of calibration (r²_cal) and cross validation (r²_CV)for ADF were 0.912 0, 0.855 3 respectively. The root mean square error of calibration，root mean square error of cross validation，and root mean square error of prediction ( RMSEE，RMSECV and RMSEP) for ADF were 2.33%, 2.62% and 1.91% respectively, and the precision is near the precision of the chemical analysis. The models of ADF can be used to measure various samples in screening and evaluating quality constituents of dry hay of oats also. This study has proved that NIRS technique can be applied to detect the contents of CP, NDF and ADF in the whole dry hay of oats.
		2008 Vol. 28 (09): 2094-2097 [Abstract] ( 270 ) PDF (1094 KB) ( 679 )

	2098	Discrimination of Brownheart and Watercore of Apples Based on Energy Spectrum of Visible/Near Infrared Transmittance
		WANG Jia-hua¹,SUN Xu-dong²,PAN Lu¹,SUN Qian¹,HAN Dong-hai^1*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2098-05
		It is urgent to develop a quick and precise method for the discrimination of the internal quality of apple. Vis/NIR spectroscopy combined with multivariate analysis after the appropriate spectral data pre-treatment has been proved to be a very powerful tool for judgment of objects that have very similar exterior properties. In the present study, peak area discriminant analysis (PADA), principal component analysis discriminant analysis (PCADA) and partial least squares discriminant analysis (PLSDA) were applied to classify apples with different internal properties such as brownherat and watercore. Energy spectra were processed using MSC or one-order derivative, and three models using PADA, PCADA and PLSDA were built, respectively. The accuracy rates of prediction for brownheart apple were 100%, for watercore apple were 79.6%, 95.0% and 96.7%, and for natural apple were 88.4%, 98.2% and 98.8%, respectively. The PLSDA model was better than the others remarkably. And the overall correct ratio of PLSDA was 98.1%, with RMSEC=0.449 and RMSEP=0.392. The results in the present study show that Vis/NIR spectroscopy together with chemometrics techniques could be used to differentiate brownheart and watercore apple, which offers the benefit of avoiding time-consuming, costly and sensory analysis.
		2008 Vol. 28 (09): 2098-2102 [Abstract] ( 481 ) PDF (1465 KB) ( 742 )

	2103	Raman Spectra Studies of MBE-Grown n-GaAs/SI-GaAs Films
		WANG Bin^1,2,XU Xiao-xuan^1,2,QIN Zhe^1,2,SONG Ning1,2,ZHANG Cun-zhou^1,2*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2103-04
		n-GaAs films doped with Si were grown by MBE on semi-insulated GaAs (100) substrates. The films with different doping concents were characterized by Raman spectra at room temperature. It is obviously that the Raman peaks shifted. Some peaks were enhanced and some were weakened. This is attributed to the fact that the higher the doping contents, the highertge lattice mismatch. And the lattice misfit induced the imperfection in epitaxy layers. This experimental result coincides with the theory.
		2008 Vol. 28 (09): 2103-2106 [Abstract] ( 700 ) PDF (1007 KB) ( 929 )

	2107	A Primary Raman Microscopic Study of the Turquoise and Its Role in Provenance-Tracking
		SHE Ling-zhu¹,QIN Ying^1*,FENG Min²,MAO Zhen-wei¹,XU Cun-yi³,HUANG Feng-chun⁴
		DOI: 10.3964/j.issn.1000-0593(2008)09-2107-04
		The authors analyzed four modern turquoises from Hubei province and Anhui province by using the Raman microscopic with the samples are gathered on the spot. According to the study the authors discovered that the Raman spectra of the Hubei turquoises with different color but with the same backgrounds of mineral resource and the formation cause of mineral resource and in the same formation line of turquoise mineral resource have little difference. On the contrary, there is a strong difference in the 900-100 cm^-1 region of the Raman spectra between the turquoises from Hubei province and the turquoise from Anhui province which has remarkable different backgrounds of mineral resource and the formation cause of mineral resource. At the same time the authors studied two ancient turquoises to discuss the feasibility of using the Raman spectra of turquoises, the provenance of which is known, as the fingerprint directions to track the provenance of ancient turquoises.
		2008 Vol. 28 (09): 2107-2110 [Abstract] ( 2733 ) PDF (1649 KB) ( 902 )

	2111	Study on Vibrational Spectra of Ethyl Hexanoate Molecule
		CAI Zhi-peng,DU Ya-bing,ZHANG Ling,LI Peng-wei,JIA Ting-jian,MO Yu-jun^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2111-04
		The vibrational spectra of ethyl hexanoate were calculated by the density functional theory(DFT) with B3LYP complex function, diffuse function and polarization function added to heavy atoms and light atoms. On the base of this, the normal Raman spectrum(NRS) and the infrared spectrum(IR) were assigned in detail in the present paper. Comparing the calculated results with the experimental data, the calculated results are in good agreement with the experimental results. The comparison of the experimental Raman and infrared spectra shows that in the experimental Raman spectrum, the strongest bands appear at the frequencies of 2 600-3 100 cm^-1, while the strongest band is not 1 734 cm^-1 but 1 444 cm^-1 at the frequencies of 400-2 000 cm^-1. The band 1 734 cm^-1 attributed to the CO stretch vibration is the distinctive mark of organic ester compounds, and the band 1　444 cm^-1 is related to the symmetric and anti-symmetric scissors vibration of C—H. In the experimental infrared spectrum, the strongest vibrational band is 1 739 cm^-1, which is related to CO stretch vibration; At the frequencies of 400-2 000 cm^-1, the relative intensity of the infrared spectrum is distinctively stronger than that of the Raman spectrum, but the relative intensity of infrared spectrum is weaker than that of the Raman spectrum at the frequencies of 2 600-3 100 cm^-1. In the frequencies of 2 600-2 800 cm-1, the vibrational bands 2 762 and 2 732 cm^-1 do not appear in the experimental spectra, which may originate from two reasons: (1) the weak interaction of molecules. Also, the relative intensity of these vibrational bands is very weak in the experimental spectra, and this may testify that the interaction of molecules is rather weak; (2) the vibrational bands may belong to second order vibrational mode at the frequencies of 2 600-2 800 cm^-1. The relative intensity of infrared bands is weaker than that of the Raman bands at the frequencies of 2 600-2 800 cm^-1. At the end, the stronger bands appearing in Raman and infrared experimental spectra are assigned as characteristic marks, respectively. The study on vibrational spectra of ethyl hexanoate molecule may have great application value in detection of liquor flavor, chemical industry and biology fields, providing important reference value for the related basic research field.
		2008 Vol. 28 (09): 2111-2114 [Abstract] ( 1594 ) PDF (1150 KB) ( 1054 )

	2115	Investigation on Composites of Europium Fluorescent Complexes and Polyvinylpyrrolidone
		HAO Chao-wei^1,3,4,ZHAO Ying^1*,XU Yi-zhuang²,WANG Du-jin1,XU Duan-fu¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2115-04
		In order to investigate the relationship between the aggregation structure and fluorescence properties of composites of rare earth fluorescent complexes and polymers, the fluorescent complexes of Eu(TTA)₃·2H₂O and Eu(TTA)₃·(TPPO)₂ were synthesized by the reaction of TTA(2-thenoyltrifluoroacetone), TPPO(triphenylphosphine oxide) and EuCl₃, and their composites with polyvinylpyrrolidone (PVP K30) were prepared. The fluorescence spectroscopy, FTIR spectroscopy and TEM were used to characterize these composites. Fluorescence spectroscopy results indicated that the fluorescence intensity of the PVP/Eu(TTA)₃·2H₂O composites is obviously improved compared with that of the Eu(TTA)₃·2H₂O complexes. For the composites with the molar ratio of the complexes to the repeat unit of PVP being 1∶35, the intensity of 612nm emission peak of the composites is 5.5 times for PVP/Eu(TTA)₃·2H₂O and 0.3 times for PVP/Eu(TTA)₃·(TPPO)₂ higher than that of the corresponding pure rare earth fluorescent complexes. And the emission intensity ratio of 612 to 590　nm peak is 14.7 in PVP/Eu(TTA)₃·2H₂O composite, larger than that of Eu(TTA)₃·2H₂O complexes. These results suggested that the luminescent properties of the europium fluorescent complexes were obviously enhanced in the presence of PVP matrix and there are interactions between the fluorescence complexes and PVP molecules. In the presence of PVPK30, the FTIR spectra of the Eu(TTA)₃·2H₂O complexes were obviously influenced as well. Based on the curve-fitting results of IR spectra of PVP/Eu(TTA)3·2H₂O composites with the molar ratio of repeat unit of PVP to Eu(TTA)₃·2H₂O being 7∶1 and 2∶1, multiple absorption peaks of ν_CO are observed. The IR spectral variations indicated that there are coordination interactions between Eu³⁺ ions and the carbonyl groups of PVP, and multiple coordination fashion exists. TEM results showed that there are microphase separation structures in PVP/Eu(TTA)₃·2H₂O and PVP/Eu(TTA)₃·(TPPO)₂ composites. The microphase separation phenomenon in composite of PVP/Eu(TTA)₃·(TPPO)₂ is more obvious than that of the PVP/Eu(TTA)3·2H₂O. And the Europium complexes are in amorphous state, which further proved the interactions between PVP molecules and the rare earth fluorescence complexes Eu(TTA)₃·2H₂O and Eu(TTA)₃·(TPPO)₂.
		2008 Vol. 28 (09): 2115-2118 [Abstract] ( 295 ) PDF (1460 KB) ( 1511 )

	2119	Spectral Analyses During the Isolation Course of Spirulina Platensis Phycobilisomes Using Low-Speed Centrifugation
		FAN Shou-jin¹,ZHANG Xi-ying^2*,ZHANG Yu-zhong²
		DOI: 10.3964/j.issn.1000-0593(2008)09-2119-03
		The phycobilisomes were isolated from Spirulina platensis using low-speed centrifugation. The crude phycobilisomes solution extracted by Triton X-100 was centrifugated　(13 000 rpm) four times. The centrifugated phycobilisomes solution was spectrally analyzed using absorption spectrum each time. The absorption spectrum showed that the ultraviolet absorption maximum of the phycobilisomes solution was still at 263 nm, and also exhibited the characteristic chlorophyllous absorption in the rang of 400-450 nm after the fourth centrifugation. This indicated that there existed small quantities of Triton X-100 and chlorophyll in the centrifugated phycobilisomes solution. But the ultraviolet absorption maximum was red-shifted to 277 nm and the chlorophyllous absorption was not observed in the absorption spectrum of the phycobilisomes solution obtained by high concentration salt precipitation, which meant that the method of high concentration salt precipitation could effectively remove Triton X-100 and chlorophyll from the phycobilisomes solution. The precipitated phycobilisomes of Spirulina platensis were further purified by using Sepharose CL-6B column chromatography. The fluorescence emission maximum of the purified phycobilisomes at room temperature was at 680 nm, which indicated that the purified phycobilisomes were intact.
		2008 Vol. 28 (09): 2119-2121 [Abstract] ( 2322 ) PDF (1183 KB) ( 593 )

	2122	Study on the Interaction of Atrazine and ct-DNA by Fluorescence Probe Technique
		MA Jing², MENG Qing-xiang¹, REN Li-ping^1*, ZHANG Tao2, MU Hao-jie²
		DOI: 10.3964/j.issn.1000-0593(2008)09-2122-04
		The interaction atrazine and ct-DNA was studied using fluorescence probe and UV absorption spectroscopy technique. Ethidium bromide (EB) was used as a probe. The effects of atrazine, phosphate, concentration of ions, and potassium iodide on the fluorescence of ct-DNA-EB system were investigated. The results showed that the fluorescence quenching process of atrazine to ct-DNA-EB system was proved to be the simultaneous dynamic and static quenching model. The phenomena of fluorescence quenching of ct-DNA-atrazine system by KI and hyperchromicity and the red shift of DNA UV-absorption caused by atrazine indicated the existence of intercalation between atrazine and ct-DNA. The experiments of phosphate and ionic strength showed that atrazine could combine with the phosphate group of ct-DNA by non-characteristic static force, and this action could be inhibited by high ionic strength.
		2008 Vol. 28 (09): 2122-2125 [Abstract] ( 2745 ) PDF (1391 KB) ( 627 )

	2126	Preparation and Spectroscopic Studies of Nanosilver/Silk-Fibroin Composite
		AI Shi-yun¹,GAO Ji-gang¹,ZHU Lu-sheng^2*,MA Zhi-jun¹,LI Xiao-chen¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2126-04
		The development of reliable, eco-friendly processes for the synthesis of nanomaterials is an important aspect of nanotechnology today. One approach that shows immense potential is based on the in situ synthesis of noble metal nanocolloids using natural biological material such as silk fibroin. In the present paper, the nano-Ag/silk-fibroin colloids were prepared by in situ reducing AgNO₃ with silk-fibroin at room temperature without any reducing agent. UV-Vis absorption, atomic force microscopy, fluorescence spectra and resonance scattering spectra were used to study the preparation process and characterization of the nanocomposite. It was found that the formative Ag nanoparticles were attributed to the tyrosine residues in the chains of silk-fibroin that act as reduction agent in the reduction course of AgNO₃, and the Ag nanoparticles were uniformly embedded in silk-fibroin colloid, which possess good dispersity and stability and can be kept for a long period. The strength of fluorescence spectra increased after reaction of silk-fibroin with AgNO₃ solution, showing that there was a strong chemical adsorption between silver nanoparticles and silk-fibroin, and a stable complex layer was formed in silver nanoparticales. Meanwhile the existence of silver nanoparticles in silk-fibroin was proved by resonance scattering spectra.
		2008 Vol. 28 (09): 2126-2129 [Abstract] ( 656 ) PDF (1285 KB) ( 805 )

	2130	Preparation and Spectrum of Multilayer Films of Polyoxometalate {(Eu(PW₁₁)₂)m/PEI}
		WANG Li^1,3,WANG Fang²,LIU Zong-rui³
		DOI: 10.3964/j.issn.1000-0593(2008)09-2130-04
		The layer-by-layer assembly (LBL) is a new method of thin film deposition often used for oppositely charged polyelectrolytes . LBL technique has been extensively used to make multilayer films of polyions with biomolecules such as proteins, enzymes and DNA . It can also be successfully applied to the preparation of thin films of nanoparticles. Ultrathin multilayer films containing a polyoxometalate (Eu(PW₁₁)₂)m and PEI were prepared using layer-by-layer assembly method in the present work. The stable multilayer films were assembled by alternate adsorption of negatively charged POM and positively charged polyelectrolytes from their aqueous dispersions. The growth of the multilayer films is regular. The proposed novel immobilized method exhibited good stability and the photoluminescent behavior of films at room temperature was investigated to show the Eu³⁺ characteristic emission pattern, which is important for practical application.
		2008 Vol. 28 (09): 2130-2133 [Abstract] ( 2536 ) PDF (1487 KB) ( 746 )

	2134	Study on the Fluorescence Characteristics of BOD Sensing Films Immobilizing Different Limnetic Microorganism
		GUO Guang-mei^1,3,XIN Ling-ling³,WANG Xu-dong³,ZHAO Yun³,CHEN Xi^2,3*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2134-05
		Taking tetramethoxysilane (TMOS) and dimethyldimethoxysilane (DiMe-DMOS) as precursors for the synthesis of an organically-modified silicates (ORMOSILs)，optical BOD sensing films immobilizing five kinds of limnetic microorganisms were composed by poly(vinyl alcohol) ormosils matrix. Their fluorescence characteristics were studied with a home-made optical BOD apparatus. According to the experimental results, linearity between BOD and the corresponding fluorescence intensity ranging from 0-60 mg·L^-1 to 0-120 mg·L^-1 could be obtained on the sensing films immobilizing limnetic microorganisms and their mixture. In addition, the linearity coefficient was from 0.976 to 0.997, and the respond time was 0.5 to 8.7 min. In the experiment, effects of the measurement condition such as temperature and pH on the fluorescent responses of BOD sensing films were investigated. These sensing films presented excellent reproducibility and stability since they could be continuously employed for 30 days, and kept 85% of their original activity when stored for 12 months at 4 ℃. The approved approach could be applied in the BOD determination of real limnetic samples according to the obtained results.
		2008 Vol. 28 (09): 2134-2138 [Abstract] ( 674 ) PDF (1407 KB) ( 804 )

	2139	Studies on the Action Features between Cefuroxime Axetil and Bovine Serum Albumin
		WU Gang-ke¹,YAN Cheng-nong^2*,LIU Yi^2,3
		DOI: 10.3964/j.issn.1000-0593(2008)09-2139-05
		Under different temperatures and physiological conditions, with cefuroxime axetil concentrations in the range of 1.959×10^-6 to 13.71×10^-6 mol·L^-1, and bovine serum albumin (BSA) concentrations at 2.0×10^-6 mol·L^-1, the interaction between cefuroxime axetil and BSA was studied by fluorescence spectroscopy, three-dimensional fluorescence spectrum, synchronous fluorescence spectrum and UV-Vis absorption spectroscopy. After analyzing and processing the fluorescence quenching data at different temperatures according to Sterm-Volmer equation，Lineweaver-Burk equation and thermodynamic equation, the average value of the apparent binding constant (K_LB: 3.907×10⁶ L·mol^-1)，and thermodynamics parameters （enthalpy change ΔH：-13.43 kJ·mol^-1, entropy change ΔS：81.90 J·K^-1 and standard Gibbs free energy change ΔG^θ：-38.34 kJ· mol^-1）were calculated, and the amounts of binding sites（n: 1.042）were measured. The fluorescence quenching mechanism of BSA after cefuroxime axetil was added was discussed. BSA was bound with cefuroxime axetil and formed a new compound. The quenching belonged to static fluorescence quenching. The thermodynamic parameters agree with ΔH≈0, ΔS>0 and ΔG^θ<0, and the binding reaction is mainly entropy-driven and electro-static interaction force plays a major role in the reaction. The maximum emission wavelength of Tyr and Trp had an obvious red shift in the synchronous fluorescence spectra, the fluorescence emission wavelength of two peaks had a blue shift in the three-dimensional fluorescence spectrum of BSA in the presence of cefuroxime axetil and the maximum absorbtion wavelenghs of three systems in the UV-Vis absorption spectra were obviously different. These showed that the changes in the micro-environment of Tyr and Trp and demonstrated that the conformation of BSA changed as cefuroxime axetil had been added. This provides important information for discussing the configuration modification of BSA because of the added cefuroxime axetil, and for elucidating the pharmacological effects of cefuroxime axetil and biological effects in the organism.
		2008 Vol. 28 (09): 2139-2143 [Abstract] ( 2675 ) PDF (1787 KB) ( 945 )

	2144	Study on Styrene Derivatives with Stilbene-Like Pendant: Synthesis and the Fluorescence Properties
		YE Zhen-xing,XIA Xue-wei^*,LU Jian-mei
		DOI: 10.3964/j.issn.1000-0593(2008)09-2144-04
		A series of styrene derivatives with stilbene-like pendant were synthesized through heterogeneous Wittig reaction of triphenyl-(4-vinyl)-benzylphosphornium chloride with aromatic aldehydes. The substituted styrenic monomer, 4-(2-aryl)-vinyl-styrene, was strongly photoluminescent in solution and in solid state. Introduced electron-pushing substituents and lengthened conjugation both enhanced the emission intensity and led to a red shift of emission bands, with the maximum emission wavelength shifted from 378 to 494 nm. The fluorescece quantum efficiencies were determined by employing quinine sulfate as reference; and 4-(2-anthryl)-vinyl-styrene (AVS) possessed the highest quantum efficiency(λ=494 nm, Ф_f=0.635).
		2008 Vol. 28 (09): 2144-2147 [Abstract] ( 1802 ) PDF (1341 KB) ( 939 )

	2148	Study on the Interaction between p-HPcZn and Myoglobin
		WEI Shao-hua, LU Shan, JI Chun, LIN Yun, ZHOU Jia-hong, SHEN Jian^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2148-04
		The interaction of p-HPcZn and myoglobin was studied by fluorescence spectra and synchronous fluorescence spectra methods under the physiological condition. The p-HPcZn can quench the fluorescence of myoglobin effectively, and it is indicated that there is a strong interaction occurring between p-HPcZn and myoglobin. The results of the fluorescence spectra with changing temperature proved that the interaction can lead to the formation of complex of p-HPcZn with myoglobin, and quench the fluorescence of myoglobin through the static quenching mechanism. Dealing with the values of fluorescence spectra, the binding parameter and the binding site of the interaction can be obtained, whose values are 2.481×10⁵ and 0.444 respectively. In addition, the interaction can change the conformation of myoglobin markedly also.
		2008 Vol. 28 (09): 2148-2151 [Abstract] ( 2699 ) PDF (1493 KB) ( 558 )

	2152	Resonance Scattering Spectral Properties of CdTe Nanoparticles and Its Application
		WANG Su-mei,JIANG Zhi-liang,LIANG Ai-hui^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2152-04
		In the present paper, CdTe quantum dots were prepared, and the resonance scattering, fluorescence and absorption spectral properties of CdTe quantum dots in aqueous solution were studied in details. The fluorescence spectral results showed that the CdTe quantum dots of 3.8，4.0 and 4.6 nm in diameter have fluorescence peaks at 601，625 and 654 nm, respectively, the fluorescence peak (λ_F) red shifts，and the fluorescence intensity is proportional to the CdTe concentration. The linear relationship was found between the fluorescence peak wavelength and the logarithm of the diameter. The relationships was λ_F=126.74 ln(d)+395.92, with a related coefficient of 0.994 5. For CdTe quantum dots of 3.8 nm in size, the fluorescence intensity at 601 nm was proportional to the concentration in the range of 11.25-540 μmol·L^-1. The regression equation is F_{601 nm}=0.722 3c+3.28, with a correlation coefficient of 0.998 0. The absorption spectral results showed that the CdTe quantum dots of 3.8，4.0 and 4.6 nm in diameter have absorption peak at 550，573 and 590 nm, respectively. The absorption value is proportional to CdTe quantum dots concentration. For CdTe quantum dots of 3.8 nm in size, the concentration in the range of 11.25-180.0 μmol·L^-1 obeys Lamb-Beer’s law. The absorption peak (λ_A) also red shifted and widened, absorption value decreased with the diameter(d). The linear relationship was found between the absorption peak wavelength and the logarithm of the diameter. The relationships was λ_A =155.01 ln(d)+415.52, with a related coefficient of 0.995 6. The resonance scattering (RS) spectra showed that the CdTe quantum dots of 3.8，4.0，4.6，4.8，5.2，6.5 and 8.6 nm in diameter have resonance scattering peaks at 597.94, 622.02, 645.94, 654.05，656.95, 700.98, 735 nm respectively. The RS peak wavelength λ_R is also proportional to the logarithm of the diameter of CdTe quantum dots . Its regression equation is λ_R =148.37 ln(d)+418.08 and the correlation coefficient is 0.995 2. For CdTe quantum dots with the same diameter such as 3.8 nm, the resonance scattering intensity at 597 nm is proportional to the CdTe concentration. The linear range is 22.5-180.0 μmol·L^-1, the regression equation is I_{597 nm}=0.572 1c+5.884, and the correlation coefficient is 0.997 5. A new resonance scattering method was applied to the determination of the diameter of CdTe quantum dots, with the advantages of simplicity, quick operation and good practical values.
		2008 Vol. 28 (09): 2152-2155 [Abstract] ( 2090 ) PDF (1164 KB) ( 799 )

	2156	Estimating Rice Brown Spot Disease Severity Based on Principal Component Analysis and Radial Basis Function Neural Network
		LIU Zhan-yu¹,HUANG Jing-feng^1*,TAO Rong-xiang²,ZHANG Hong-zhi²
		DOI: 10.3964/j.issn.1000-0593(2008)09-2156-05
		An ASD Field Spec Pro Full Range spectrometer was used here to acquire the spectral reflectance of healthy and disease leaves cut from rice plants in the field. The leaf disease severity of rice brown spot was determined by estimating the percentage of infected surface area of rice leaves in the laboratory through phytopathologist’s observation. Three steps were taken to estimate leaf disease severity of rice brown spot. The first step was that different spectra transforming methods, namely, resampling spectrum (10 nm interval), the first- and second-order derivative spectrum based on raw hyperspectral reflectance, were conducted. The second step was that the principal component analysis (PCA) was examined to obtain the principal components (PCs) from the above transformed spectra to reduce the spectra dimensions of hyperspectral reflectance and simplify the data structure of hyperspectra. The last step was that the resampling and PCs spectra entered the Radial Basis Function neural network (RBFN) as the input vectors, and the disease severity of rice brown spot entered RBFN as the target vectors. RBFN is an effective feed forward propagation neural network, which is based on the linear combinations of corresponding radial basis functions. In general RBFN can be used to solve the problems such as regression or classification with high operation rate and efficient extrapolation capability, and quickly designed with zero error to approximate functions. The total dataset (n=262) was divided into two subsets, in which three quarters (n=210) was the training subset to train the neural network, and the remaining quarter (n=52) was the testing dataset to conduct the performance analysis of neural network. The spread constants of RBFN and various data processing methods were investigated in detail. The best prediction result was obtained by PCs spectra based on the first-order derivative using RBFN model, the root mean square of prediction error（RMSE）was small (7.73%) in the testing dataset, and the next was the resampling spectra with RMSE of 8.75%. This research demonstrated that it was feasible and reliable to estimate the disease severity of rice brown spot based on PCA-RBFN and hyperspectral reflectance at the leaf level.
		2008 Vol. 28 (09): 2156-2160 [Abstract] ( 1256 ) PDF (1343 KB) ( 640 )

	2161	Determination of Nutrients in 7 Species of Desert Plants for Raising Livestock in Inner Mongolian
		LIU Ying^1,2,FENG Jin-chao¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2161-04
		In order to accumulate the foundational information about the nutrients related to 7 species of desert plants, chemical and instrumental methods for determination were used and quantitative results were obtained as follows (%, in dry mass): calcium 0.73-3.89, phosphorus 0.043-0.34, selenium 0.026-2.8, protein 3.38-13.92, lipid 3.97-15.03, total sugar 14.89-35.78, ash 0.61-14.33, medium washing fiber 26.66-79.72，and acid washing fiber 27.03-69.01. Among the 7 species of desert plants, the total content of amino acid in the leaf and caudex ranges from 2.30% to 11.26%. Apart from Elaeagnus angustifolia, the ratios of the calcium and phosphorus both in the leaves and caudexes of the rest 6 kinds of desert plants are higher than those in the leaf powder and caudex powder of clover blossom. The selenium content is greater than the usual amount in plants; the protein content reaches the level of excellent grains; the lipid contents in leaf, caudex and whole plant are higher than those in straws of corn and wheat; the leaves have more total sugar than the caudex and the whole plant, and the high level of ash content exists in the 7 species of desert plants; and the medium washing fiber content in leaf of those plants is lower than that in clover blossom leaf powder, which is opposite to the content in caudex. Except for Haloxylon ammodendron, the acid washing fiber content in caudexes is beyond that in the caudex powder of the clover blossom. As is indicated in the data above, the 7 species of desert plants not only do meet the demands of raising livestock, but also are ideal feeding resources for the husbandry development in sandy areas.
		2008 Vol. 28 (09): 2161-2164 [Abstract] ( 2682 ) PDF (942 KB) ( 459 )

	2165	Study on Fluorescent Properties of Coumarin Derivatives and Determination of Trace Iron
		LI Fang,SUN Xiang-ying
		DOI: 10.3964/j.issn.1000-0593(2008)09-2165-04
		The fluorescence spectra of the succinic acid (7-hydroxy-coumarin) ester (SCE) of different concentration in water and ethanol solvents were studied. It was found that the peak wavelength changes not only with solvent, but also with the concentration. These phenomena of spectra have been discussed on the basis of solvent properties and dimerisation of SCE in hydrogen bonding solvents. The author thought that there are dimerisation phenomena in the SCE solutions at high concentration. The formation of dimer was caused by the aid of hydrogen bonding between SCE and solvent or between SCE themselves. Its acidic dissociation constant at excited state was determined based on the changes of the fluorescence spectra in water. And a simple and sensitive fluorescence quenching method for the determination of trace iron was developed. The method is based on the reaction of SCE with iron in hydrochloric acid medium. The fluorescence intensity was measured with excitation and emission wavelengths of 347 and 457 nm, respectively. The linear range for the determination of iron was 0.66-6.59 μg·L^-1. The detection limit was 51 ng·L^-1. The author contrasted SCE with 7-hydroxy-coumarin to determine Fe³⁺, and found the sensitivity of SCE is 10⁴ higher than that of 7-hydroxy-coumarin. To our thinking there is a carboylate group in SCE, whose coordinate force with iron is stronger than hydroxide radical in 7-hydroxy-coumarin.
		2008 Vol. 28 (09): 2165-2168 [Abstract] ( 1909 ) PDF (1748 KB) ( 560 )

	2169	Catalytic Spectrophotometric Quantitation for Hypoxanthine by Conjugating Xanthine Oxidase with Horseradish Peroxidase
		LI Zhong-qin^1,2,XU Xiao-ping^1,2*,WANG Wu¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2169-04
		A novel technology to determine the concentration of hypoxanthine through the chromogenic reaction of phenic acid (PA), 4-aminoantipyrine(AAP) and hydrogen peroxide (H₂O₂), which was produced via the oxidation of hypoxanthine catalyzed by xanthine oxidase(XO), under the help of horseradish peroxidase(HRP) was proposed in the present paper, according to the reaction of molybdoenzyme xanthine oxidase (XOD, EC 1.2.3.22) which mainly catalyzes the conversion of hypoxanthine and xanthine to xanthine and uric acid, respectively, and is capable of reducing oxygen to generate the reactive oxygen species (ROS), superoxide and hydrogen peroxide. The influences of temperature and pH on the system were investigated. The optimal conditions to determine the concentration of hypoxanthine were obtained as follows: XO(0.32 U·mL^-1), HRP(7.0U·mL^-1), 4-Aminoantipyrine(1 mmol·L^-1), and phenic acid(6 mmol·L^-1) were dissolved in 100 mmol·L^-1 Tris-HCl buffer solution (pH 8.3), and the reaction system was incubated in thermostat of 37 ℃ for 8 min, the absorptive wave length was 508 nm. Under the conditions mentioned above, the linear range of calibration curve was between 0.2 and 3.0 mmol·L^-1, the correlation coefficient was 0.997 9, and the limit of detection was 0.05 mmol·L^-1. All these show that this technology is a potential alternative method to determine the concentration of hypoxanthine in areas like for example in laboratory or clinical serum diagnosis.
		2008 Vol. 28 (09): 2169-2172 [Abstract] ( 2002 ) PDF (1263 KB) ( 893 )

	2173	Determination of Se in Blood and Tissue of Animal Samples by Normal ICP-MS and ICP-MS with Octupole Reaction System
		WANG Ying-feng¹,LIU Cui-mei¹,LIU Shao-qing¹,SHI Yan-zhi^1*,CHEN Yu-hong²
		DOI: 10.3964/j.issn.1000-0593(2008)09-2173-04
		The Se in the blood and tissue of animal samples was determined by ICP-MS instrument. The method was not only proved simple and rapid, but also showed satisfying precision and low detection limit. The optimum conditions of ICP-MS for the method were investigated. Results by the digestion method, the isotopes selection, and the difference between the normal ICP-MS without ORS (Octopole Reaction System) and the ICP-MS with ORS were compared, which afford reference to the determination of the same kinds of sample. The standard materials were determined to proved the reliability of the normal ICP-MS and the ORS-ICP-MS methods. The ORS-ICP-MS can effectively remove the interference based on polyatomic ions, so the the detection limits were lowed, and the accuracy was improved. The detection limits of the method for normal ICP-MS is 0.024 ng·g^-1 and that for ORS-ICP-MS is 0.004 6 ng·g^-1, the RSDs are between 1.8% and 5.5%, and the recoveries of the method are in the range of 90.8%-107.2%.
		2008 Vol. 28 (09): 2173-2176 [Abstract] ( 1321 ) PDF (1124 KB) ( 555 )

	2177	Determination of Trace Elements in Different Parts of Grapefruit by ICP-AES
		WAN Yi-qun^1,2,XIAO Li-feng²,LIU Ying-xia²,HUANG Zi-juan²
		DOI: 10.3964/j.issn.1000-0593(2008)09-2177-04
		In the present paper, a method of simultaneous determination of trace elements in grapefruit was developed by using inductively coupled plasma-atomic emission spectrometry together with HNO₃-HClO₄ digestion. The contents of fifteen elements, including B, Ba, Ca, Cu, Zn, Mg, Sr, Mn, Fe, Na, Be, Pb, Bi, Cd and As, were determined in four parts, namely flesh, scarfskin, endodermis and seed collected from Guangdong, Guangxi and Ganzhou, respectively. The relative standard deviations for all these elements in this method were between 0.22% and 5.54%, and the recovery rates were between 87.0% and 115.0%. The measuring method was proved to be simple, rapid, reliable, and highly sensitive. In addition, the determination of these fifteen elements can be carried out at the same time, which can meet the requests of actual sample analysis. The experimental results showed that some beneficial elements to human such as Ca, Mg, Fe, Zn, Mn, Cu and Na in grapefruit were abundant, while some comparatively harmful elements (Be, Pb, Bi, Cd and As) were not detected. Regional differences and partial differences obviously existed in the concentrations of one or more trace elements in grapefruit. As a whole, the concentrations of most elements in flesh were much lower than in other parts of grapefruit. The concentrations of B, Ba, Ca, Sr and Mn were comparatively higher in the seed capsule than in other parts. Cu, Zn and Mg had the highest concentrations in seed compared to other parts. There was little difference between scarfskin and endodermis. And as for the regional differences, the contents of Mn, Zn and Na in Gannan pomelo in all its parts were higher than those in other regions, and the contents of Ba in Guangdong pomelo in all its parts were higher than those in others, while Guangxi pomelo had the highest Fe content. These differences might resulted from the natural environmental conditions such as temperature, humidity, soil types with different pH, the mineral composition or concentration, and so on. Application of fertilizer and prunning might be an important man-made factors which could also result in the differences. The determination of these elements by using ICP-AES has important point for exploiting grapefruit fully in future.
		2008 Vol. 28 (09): 2177-2180 [Abstract] ( 2459 ) PDF (932 KB) ( 573 )

	2181	Determination of Inorganic Elements in Rat Serum, and Vegetable and Fruit Ferment Liquid by ICP-MS
		LI Xiang-yun^1,2,LIAN Hong-zhen²,CHEN Yi-jun²,HU Xin²,MAO Li^1*,LU Ming¹,CAI Yun-qing¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2181-06
		In the present paper, the contents of thirteen inorganic elements in rat serum, and vegetable and fruit ferment liquid (VFFL) were measured by ICP-MS in order to study the anti-tumor effect of VFFL. Serum or VFFL was digested in nitric and perchloric acids at room temperature and then heated until dryness. The residue was dissolved with 1% (φ) nitric acid prior to ICP-MS analysis. The element contents were quantitated by using ⁴⁵Sc, ¹⁰³Rh and ¹⁸⁷Re as the internal standards, respectively, according to the rule of close mass number. Certificate references bovine serum (GBW(E)090006) and tea (GBW070605) were employed to validate the proposed method, and the analysis results of most elements in two certificate references were in agreement with their reference values. The intra-day and inter-day precisions of the method in terms of relative standard deviation (RSD) were mainly below 10% and below 15%, respectively. The spiked recoveries for most of studied elements were 80%-110% in rat serum and 90%-120% in VFFL. This method was rapid, highly sensitive, and especially suitable to being applied to small quantity of biological samples with greatly different elements contents. Therefore, we measured the content of thirteen elements in the sera of rats, where in were induced liver cancer by revulsant, and the rate were fed with different dosage of VFFL in intragastric infusion at the same time. It was preliminarily found that the concentrations of some elements in sera of different experiment groups of rats were significantly different, implying the potential anti-tumor effects of VFFL.
		2008 Vol. 28 (09): 2181-2186 [Abstract] ( 2439 ) PDF (1024 KB) ( 912 )

	2187	Effects of Hair Dyeing on the Heavy Metals Content in Hair
		WEI Zhen-lin¹, RUI Yu-kui^2*, SHEN Lin³
		DOI: 10.3964/j.issn.1000-0593(2008)09-2187-02
		Cosmetic and hair dye has been one of the pollution resources of heavy metals. Contents of heavy metals in hair of dyed group and non-dyed group were analyzed by ICP-MS，the results showed that dyeing hair can change the content of heavy metals in hair, but the degree of effect is different for different element: contents of Mn, Fe, Ni, Cu, Cd and Sb in hair of dyed group were higher than that of non-dyed group, but contents of As, Cr, Zn, Ag, Pb and Hg were lower. The cause of the above results could be that hair dye contains more Mn, Fe, Ni, Cu, Cd and Sb, but less As, Cr, Zn, Ag, Pb and Hg, and dyeing hair could restrain the metabolism and excretion of As, Cr, Zn, Ag, Pb and Hg from human body.
		2008 Vol. 28 (09): 2187-2188 [Abstract] ( 275 ) PDF (900 KB) ( 1009 )

	2189	Determination of Trace Mercury in Hair by Hydride Generation Atomic Fluorescence Spectrometry
		WU Ying-juan,CHEN Yong-heng
		DOI: 10.3964/j.issn.1000-0593(2008)09-2189-03
		A method for determination of trace mercury in hair by hydride generation atomic fluorescence spectrometry under normal or high temperature and high humidity condition was described. The ways of samples pretreatment, analysis and rapid clearing up bad memory were researched. The results showed: that the effect of instability of mercury can be cushioned under high temperature and high humidity condition by choosing much negative high pressure and control long the fluorescence intensity of standard blank. There weren’t evident differences in the measure results of standard graph, standard and sample between normal and high temperature and high humidity conditions. When the reducer concentration was more than 2.5 percent or less than 1.5 percent the fluorescence signal was often overrun or disappeared. The sensitivity and stability of instrument weren’t easily balanced. Due to sulfuric acid remainder, the fluorescence intensity of sample blank was higher than that of standard blank, especially under high temperature and high humidity, so in the proceed of sample pretreatment sulfuric acid was used scarcely. The bad memory effect can be cleared up rapidly by correction of negative high pressure and correction of oftimized standard graph. The method was rapid and accurate. The relative standard deviation (RSD) was equal to or small than 1.1%. The detection limit of the method was 0.006 ng·mL^-1.
		2008 Vol. 28 (09): 2189-2191 [Abstract] ( 2267 ) PDF (919 KB) ( 580 )

	2192	Comparison and Correlative Analysis of Trace Elements in Five Kinds of Radix Curcumae
		TIAN Yu-mei,ZHOU Dan,ZHANG Wei,CHENG Cun-gui^*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2192-04
		Traditional Chinese medicine materials (TCM) contained abundant trace elements needed in human body. Mixed acid (HNO₃∶HClO₄) was added into samples treated by microwave digestion, and a systematic study was carried out by selection of the most appropriate working conditions and optimization of the sample mass. Some inorganic elements in 5 kinds of radix curcumae (Curcuma wenyujin Y. H. Chen et C. Ling, Curcuma longa L., Curcuma kwangsiensis S. G. Lee et C. F. Liang, Curcuma phaeocaulis Val. and Curcuma chuanyujin C. K.Hsieh et H. Zhang) necessary to lives were determined by flames atomic absorption spectrometry (AAS). Elements, such as K, Ca, Na, Mg, Zn, Fe, Cu and Mn were detected. The results show that there are similar elements in the five kinds of radix curcumae, while differences only exist in a few elements contents. The correlative analysis of trace elements in samples was carried out by cluster analysis of the 4 kinds of radix curcumae (Curcuma wenyujin Y. H. Chen et C. Ling, Curcuma longa L., Curcuma kwangsiensis S. G. Lee et C. F. Liang and Curcuma phaeocaulis Val.) in codex populations in a cluster, different from the unofficial sample (Curcuma chuanyujin C. K. Hsieh et H. Zhang). The cluster analysis results are consistent with the morphological characteristics of the traditional taxonomy results. The results showed that the analytic method is advisable. This paper provides scientific basis for deeply studing the relation between trace elements and drug effect of radix curcumae.
		2008 Vol. 28 (09): 2192-2195 [Abstract] ( 1745 ) PDF (973 KB) ( 715 )

	2196	XPS Analysis of Tea Plant Leaf and Root Surface
		FANG Jiang-yu^1,2,3,WAN Xiao-chun^1,2*
		DOI: 10.3964/j.issn.1000-0593(2008)09-2196-05
		XPS was applied to analyze the surface chemical composition and structure of the tea plant leaf and root. It was detected that the surface is made up of mainly 4 elements：C, O, N and Al, with little P and F in abaxial leaf. Based on the botanic epidermis structure and the chemical composition, with the help of the standard spectrum data bank on line and the wood XPS study results, and through line Gaussian and Lorentizian the mixed, the binding energy of C（1s） of the leaf surface was classified as 3 types: the first was C1, with the electron binding energy of 285 eV, from C—C or C—H group, representing lipid compound like cutin and wax. C2 with the binding energy of 286.35 eV in the adaxial and 286.61 eV in the abaxial, came from the single bond of carbon and oxygen C—O, mainly standing for cellulose. C3 with the binding energy of approximately 288 eV (288.04 eV in adaxial and 288.09 eV in abaxial) was the sign of CO group, which is acyl in protein with the confirmation of N（1s）（399-401 eV）and O（1s） analyses. In the root surface, besides the same compounds of cutin and wax (C1, binding energy 285 eV), cellulose (C2, binding energy 286.49 eV) and protein （C3，binding energy 288.78 eV）as in the leaf, there appeared C5 type with the binding energy of 283.32 eV . Because it was lower than C1, it was estimated as carbon linking to metal. Both the leaf and the root surfaces didn’t have C4, a type of OCO, which is common in wood surface with the highest oxidated carbon of 289-289.5 eV binding energy, indicating that organic acid secreted by the root existed freely on the root surface, without any chemical association with the surface compounds. The results of the separated spectrum of O（1s） supported the above C（1s） results. By the ratio of each type of C, there were more oxygen groups in the abaxial than in the adaxial, implicating more active chemical properties on the abaxial. Compared with the leaf, cutin and wax was little in the root and oxygen groups were many, verifying more active chemical property on the root surface and more water and solute molecules passing. Again the protein content was in the order of root, abaxial and adaxial, indicating the same order of the wetness degree. Higher binding energy of Al than 73.50 eV showed oxidized aluminum in tea plant surface, which might enhance the absorption, and more oxidized aluminum in the root meants that it has more powerful absorbability.
		2008 Vol. 28 (09): 2196-2200 [Abstract] ( 2028 ) PDF (1760 KB) ( 708 )

	2201	Study on the Malignant and Normal Rectum Tissues Using NMR Spectroscopy
		GAO Xiu-xiang¹, HE Wen-yi², YAO Hong-wei³, DU Jun-kai⁴, ZHAO Mei-xian^{1, 5}, QI Jian¹, LI Hui-zhen^{1, 6}, XU Yi-zhuang^1*, WU Jin-guang¹
		DOI: 10.3964/j.issn.1000-0593(2008)09-2201-06
		In the present paper, NMR spectroscopy, an effective tool to detect the variation in molecular structure and changes in chemical composition of metabolites in tissues, was used to study the differences between malignant and normal tissues from rectum. ¹H spectra of four malignant rectum tissue samples and two normal control tissues were investigated by using a 500M NMR high-resolution magic angle spinning magnetic resonance spectrometers (HR-MAS NMR). The results indicate that the ¹H HR-MAS spectra of rectum cancer tissues are significantly different from those of the normal controls and most differences are presents in the form of variation in the relative intensities of the characteristic peak of various metabolites. In order to characterize the variation in the relative intensities in a quantitative manner, the intensity of the methyl peak of fatty acid at 0.88 was utilized as inner standard. Systematic differences between NMR spectra of malignant tissue and normal controls are as follows: (1) The concentration of amino acid increases significantly in malignant tissues, since the relative intensities of characteristic peaks of amino acid including valine, isoleucine, leucine, lysine, glutamate, glutamine, and aspartate are stronger in the NMR spectra of the malignant tissues. This phenomenon may reflect the fact that the activity of protein synthesis is enhanced in cancerous tissues. (2) The intensities of the characteristic peaks of lactic acid in malignant tissues are higher than those from normal controls. This may be related to the nature of anaerobic metabolism activity in malignant tissues. (3) The level of choline and its derivatives, taurine and creatine, increases significantly in malignant tissues, suggesting that the metabolic activity of malignant tissues changes. (4) In the spectral region between 4.5 and 10, observable changes occur on the peaks for unsaturated fatty acid and nuclear acids. Therefore, the above spectral variations in high resolution magic angle spinning NMR spectroscopy may be utilized as a potential tool to diagnose rectum cancer.
		2008 Vol. 28 (09): 2201-2206 [Abstract] ( 321 ) PDF (1621 KB) ( 518 )

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