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2008 Vol. 28, No. 08 Published: 2008-08-29

光谱学与光谱分析

	1697	Realization and Investigation of Relative Experimental Parameter of Coherent Population Trapping Frequency Standard
		DU Run-chang^1,2,LIU Guo-bin^1,2,CHEN Jie-hua^1,2,WANG Jin^1,3,LIU Chao-yang¹,　GU Si-hong^1,3*
		DOI: 10.3964/j.issn.1000-0593.2008.08.002
		It is desirable for an atomic frequency standard that clock transition signal is of both high S/N rate and narrow linewidth.While for a passive coherent population trapping (CPT) frequency standard, increasing S/N rate is at the expense of en-widened lidnewidth, therefore it is crucial to choose a proper combination of S/N rate and linewidth.The present paper presents the experimental results of our systematically study on the relations between clock transition signal and parameters such as temperature and laser intensity with an optical table top CPT frequency standard.The obtained results provide us the criterion of choosing the combination of S/N rate and lidnewidth.The paper also presents experimental study results of de-coherent effect caused by unperfect circular polarization laser.Those experimental results were the good reference in the realization of CPT frequency standard, and they are also the general reference to CPT phenomenon and CPT frequency standard studies.
		2008 Vol. 28 (08): 1697-1700 [Abstract] ( 2184 ) PDF (1495 KB) ( 1316 )

	1701	Study of Electroreflectance Spectrum and Franz-Keldysh Effect at Metal-GaAs Interfaces
		WANG Bin^1,2,XU Xiao-xuan^1,2,QIN Zhe^1,2,SONG Ning^1,2,ZHANG Cun-zhou^1,2*
		DOI: 10.3964/j.issn.1000-0593.2008.08.055
		Electronic properties (electric field, Fermi level pinning and density of interface states) of Au-GaAs, Al-GaAs and Ni-GaAs interfaces were studied by optical methods.These interfaces were fabricated by depositing metals (Ni, Au and Al) on specialized surface-intrinsic-n⁺(SIN⁺) GaAs samples.Electroreflectance (ER) was used to study the electric fields and Fermi level pinnings of metal-GaAs interfaces.Fourier transformation (FT) of ER spectra was used to analyze these interfacial properties.Assuming that only a fraction of the total illuminated area was the effective interface state area, the density of interface states was obtained by measuring the relation between the photovoltage induced by an exciting He-Ne laser beam and the illumination intensity of the laser beam.
		2008 Vol. 28 (08): 1701-1704 [Abstract] ( 1936 ) PDF (1340 KB) ( 970 )

	1705	Studies of the g Factor and Optical Spectra for CaZrO₃∶Mn⁴⁺ Crystal
		WU Xiao-xuan^1,4,FENG Wen-lin^2,3,ZHENG Wen-chen^3,4
		DOI: 10.3964/j.issn.1000-0593.2008.08.058
		The complete high-order perturbation formula of g factor for 3d³ ions in cubic octahedral site was derived.In the formula, both the contribution Δg_CF to g-shift Δg(=g-g_s, where g_s＝2.002 3) due to crystal-field (CF) mechanism (related to the interactions of CF excited states with the ground state) and that (Δg_CT) due to charge-transfer (CT) mechanism (related to the interactions of CT excited states with the ground state, which is omitted in crystal-field theory) are included.By using the formula and the parameters obtained from the optical spectra of CaZrO₃∶Mn⁴⁺ crystal, the g factor of CaZrO₃∶Mn⁴⁺ was calculated.The result is consistent with the experimental value.The calculations show that the contribution is opposite in sign and about 62% in magnitude compared with the contribution Δg_CF.It appears that both CF and CT mechanisms should be considered in the calculation of g factor for the high valence 3d³ (e.g., Mn⁴⁺ and Fe³⁺) ions in crystals.
		2008 Vol. 28 (08): 1705-1707 [Abstract] ( 2695 ) PDF (946 KB) ( 928 )

	1708	Measurement on Gas Temperature Distribution by Tunable Diode Laser Absorption Spectroscopy
		LI Ning,YAN Jian-hua,WANG Fei^*,CHI Yong,CEN Ke-fa
		DOI: 10.3964/j.issn.1000-0593.2008.08.051
		The technique of tunable diode laser absorption spectroscopy (TDLAS) can be used for gas temperature distribution measurement by scanning multiple gas absorption lines with a tunable diode laser.The fundamental of gas temperature distribution measurement by TDLAS is introduced in the present paper, and the discretization strategy of equation for gas absorption is also given here.Using constrained linear least-square fitting method, the gas temperature distribution can be calculated with the help of physical constraints under the condition of uniform gas concentration and pressure.Based on the spectral parameters of four CO absorption lines near 6 330 cm^-1 from HITRAN database, the model of two-temperature distribution at 300 and 600 K with each path length of 55 cm was set up.The effects of relative measurement error and different path length constraints of temperature bins on the gas temperature distribution measurement results were simulated by constrained linear least-square fitting.The results show that the temperature distribution calculation error increases as the relative measurement error rises.A measurement error of 5% could lead to a maximum relative error of 11%, and an average relative error of 2.2% for calculation result.And the weak physical constraints of path length for temperature bins could increase the calculation result error during the process of constrained linear least-square fitting.By setting up the model of two-temperature distribution with gas cells at room temperature as the cold section and in tube furnace as the hot section, the experiment of gas temperature distribution measurement in lab was carried out.Using four absorption lines of CO near 6 330 cm^-1 scanned by VCSEL diode laser, and fitting the background laser intensity without absorption by the cubic polynomial to get the baseline signal, the integrals of spectral absorbance for gas temperature distribution measurement can be calculated.The relative calculation errors of path length for temperature bins are about 7.3%, 6.5%, 4.7% and 2.7% in the four cases.
		2008 Vol. 28 (08): 1708-1712 [Abstract] ( 2437 ) PDF (1380 KB) ( 1703 )

	1713	Data Analysis of Laser Desorption/Ionization Mass Spectrum of Atmospheric Aerosol Particles Using Fuzzy Clustering Algorithms
		GUO Xiao-yong,FANG Li,ZHAO Wen-wu,GU Xue-jun,ZHENG Hai-yang,ZHANG Wei-jun
		DOI: 10.3964/j.issn.1000-0593.2008.08.052
		On-line measurement of size and composition of single particle using an aerosol time-of-flight Laser mass spectrometry (ATOFLMS) had been designed in our lab.Each particle’s aerodynamic diameter is determined by measuring the delay time between two continuous-wave lasers, A Nd∶YAG laser desorbs and ionizes molecules from the particle, and the time-of-flight mass spectrometer collects a mass spectrum of the generated ions.Then the composition of single particle is obtained.ATOFLMS generates large amount of data during the process period.How to process these data and extract valuable information is one of the key problems for the ATOFLMS.In this paper, the fuzzy clustering used to classify large numbers of mass spectral of air indoor by an ATOFLMS.Each revised spectrum is converted to a normalized 300-point vector, each point representing one mass unit.Then the positive ion mass spectra of a single particle are described as 300-dimensional data vectors using the ion masses as dimensions and the ion signal peak areas as values.The data vectors of all particles measured are written into a classification matrix.Each spectrum’s data was stored as one row in this matrix.The Fuzzy c-means algorithm is an iterative method starting the calculation with random class centers to find a substructure in the data.The procedure works in such a way that finally similar objects (particle spectra) have a minimum distance between their corresponding data vectors, on the one hand, and to the center of a cluster, on the other hand.So the aim of the iteration is to find local minima in the N-dimensional space where N is the number of evaluated peak masses.The particle data used in this study were collected over a period one day in Hefei.During the campaign, inorganic salts, mineral particles, and carbonaceous particles, with varying degrees of secondary components, were identified.The detection results of particle size exhibit that aerosol is predominanantly in the form of fine particles, and the particles whose diameter larger than 1 μm are scare.The particles whose diameter less than 1 μm are make up of 95% of the total particles, and these particles are major distributed in 0.4-0.8 μm.
		2008 Vol. 28 (08): 1713-1717 [Abstract] ( 2121 ) PDF (1849 KB) ( 776 )

	1718	Terahertz Spectroscopic Investigation of Imidacloprid
		YAN Zhi-gang,HOU Di-bo^*,CAO Bing-hua,ZHANG Guang-xin,ZHOU Ze-kui
		DOI: 10.3964/j.issn.1000-0593.2008.08.053
		Terahertz radiation generated by ultra short laser pulses has a broad band width in the far-infrared range.Terahertz wave interacting with materials is a new research field.In this paper, we performed measurement of absorption coefficient and refractive index of imidacloprid in the frequency range 0.2-2.0 THz at room temperature by THz-TDS.The results indicate that imidacloprid has absorption fingerprints in this frequency range，and the absorption coefficient increases with the frequency.The average refractive index of imidacloprid is 1.65, and the refractive index of imidacloprid increases slightly with frequency. A semi-empirical theory was applied to obtain the structure and vibrational frequencies of the imidacloprid molecules in THz region.The calculated results agree well with the experimental data.The absorption features are caused by the collective vibrational and torsional modes, and different absorption peaks correspond to different vibrational modes.The comparison between experimental and theoretical study shows that far-infrared absorption features are highly sensitive to the structure and spatial arrangement of the molecules.THz-TDS is a potential tool to understand the collective vibrational modes and conformational structures of bio-molecules.
		2008 Vol. 28 (08): 1718-1721 [Abstract] ( 1916 ) PDF (1618 KB) ( 685 )

	1722	Nondestructive Analysis and Identification of Pigments on Colored Relics by Fiber Optic Reflectance Spectroscopy
		WANG Li-qin^1,2,DANG Gao-chao³,ZHAO Jing¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.054
		Identifying pigments on colored relics is an important part of relic analysis and protection.In order to meet the special demands of protecting relics，taking into account the situation in China, we have refitted a domestic instrument to a fiber optics reflectance spectrophotometer with low price and good function to identify pigments without any damage.It consists of a tungsten lamp, a monochromator, an optical fiber, a shielding chamber, a photomultiplier tube, a reading meter, and a high voltage supply source.Through analysis of a great variety of Chinese ancient pigments, we have deduced three reflectance spectrum shapes of pigments, bell-shaped, s-shaped and oblique line-shaped.The blue or green pigments with bell-shaped spectra can be identified by the characteristic reflectance peak.The pigments with s-shaped spectra are usually red, yellow or brown.Although there are no characteristic reflectance peaks on the plots of the reflectance-wavelength, there is a peak in the first derivative (D’) here.Then, the related pigments of this sort can be analyzed and identified with their derivative peaks.For the pigments with oblique line-shaped spectra, their reflectance and first derivative spectra are nearly linear and there are no peaks.The related pigments are usually white, black or gray.With our self-made fiber optics reflectance spectrophotometer, we analyzed the composition of pigments on colored pottery figurines and frescoes of Tang dynasty tombs in Xi’an by comparing their reflectance spectroscopic curves and characteristic reflectance peaks or first derivative peaks with those of standard pigments.The deep red pigment in sample 1^#, the green pigment in sample 2^#, and the orange and deep red pigments in sample 3^# have been identified to be hematite with high purity, malachite and the mixtures of cinnabar/red lead and a little hematite, respectively.It has been indicated that the analytical results of relic pigments from this method are accurate and reliable, and verified by XRF analysis.Fiber optics reflectance spectroscopy is a new quick analytical technique to identify pigments on colored relics.
		2008 Vol. 28 (08): 1722-1725 [Abstract] ( 522 ) PDF (1274 KB) ( 957 )

	1726	Synthesis and Absorption Spectra Properties of Au-Ag Alloy Nanoparticles Using Gallic Acid as Reductant
		WANG Wen-xing,HUANG Yu-ping,CHEN Qi-fan,XU Shu-kun^*,YANG Dong-zhi
		DOI: 10.3964/j.issn.1000-0593.2008.08.056
		Gold-silver alloy nanoparticles with a homogeneous size distribution and good stability were synthesized in aqueous solution by one-step reduction with gallic acid as reductant in the absence of other stabilizers for the first time.The absorption spectra of as prepared gold-silver alloy nanoparticles under different reaction temperatures and with various gold-silver mole ratios were studied.The absorption spectra exhibit only one single peak with the maximum wavelength located between the absorption peaks of Au nanoparticles and Ag nanoparticles, however, the absorption spectrum of the physical mixtures of Au nanoparticles and Ag nanoparticles exhibits two absorption peaks coming from their corresponding monometallic metal nanoparticles, suggesting primarily the formation of the alloy nanoparticles.The maximal absorption peaks of alloy nanoparticles showed gradually a blue-shift with the rising of reaction temperature companying with the increase in absorbance and the narrowing of peak shape.The maximum absorption wavelengths of alloy nanoparticles showed a red-shift with increasing Au/Ag molar ratio in a linear fashion, further indicating the formation of alloy nanoparticles.HRTEM images showed that the as-prepared alloy nanoparticles with Ag/Au molar ratio of 1∶1 are close to sphere in shape, homogeneous in size distribution and without capping phenomenon.EDX analysis suggested the present of Au and Ag in individual nanoparticles, and the Au/Ag mole ratio value of a sample with a nominal element composition was found to be close to the nominal value.
		2008 Vol. 28 (08): 1726-1729 [Abstract] ( 2930 ) PDF (1489 KB) ( 1186 )

	1730	The Upconversion Luminescence of Tm(0.35)Yb(5)∶FOV Nanophase Oxyfluoride Vitroceramics
		CHEN Xiao-bo¹,WANG Ya-fei¹,Naruhito Sawanobori³,YANG Guo-jian¹,CUI Jian-sheng¹,HE Chen-juan¹,CHEN Zhi-jian²,LIU Da-he¹,PENG Fang-lin¹,SONG Zeng-fu²
		DOI: 10.3964/j.issn.1000-0593.2008.08.003
		The upconversion luminescence of nanophase oxyfluoride vitroceramics Tm(0.35)Yb(5)∶FOV when excited by a 975 nm diode laser was studied in the present paper.Several ultraviolet upconversion luminescence lines positioned at 363.6 nm, (462.6 nm, 477.0 nm), 648.7 nm, (699.7 nm, 680.7 nm) and (777.6 nm, 800.7 nm) were found.They can be attributed to the fluorescence transitions of ¹D2→³H₆，¹G₄→³H₆, ¹G₄→³F₄, ³F3→³H₆ and ³H₄→³H₆ of Tm³⁺ ion.The careful measurement and analysis of the variation of upconversion luminescence intensity F as a function of the 975 nm pumping laser power P has proven that the upconversion luminescence of ¹D₂ state is partly a five-photon upconversion luminescence, while the upconversion luminescence of ¹G₄ and ³H₄ state is the three-photon and two-photon upconversion luminescence respectively.
		2008 Vol. 28 (08): 1730-1733 [Abstract] ( 267 ) PDF (1227 KB) ( 640 )

	1734	Two-Photon Up-Conversion Fluorescence of a Neodymium Organic Framework Nd(BTC)
		XU Hui,JIN Run-zhi,WU Chun-yang,YANG Yu^*,QIAN Guo-dong
		DOI: 10.3964/j.issn.1000-0593.2008.08.031
		In the present work, a neodymium organic framework Nd(BTC) was synthesized by the solvothermal reaction of Nd(NO₃)₃·5H₂O and H₃BTC (BTC=1,3,5-benzenetricarboxylate) in mixed solvents of DMF, ethanol and water, and was identified by elemental analysis.This MOF complex was characterized using X-ray diffraction (XRD), thermogravimetry-differential scanning calorimetry (TGA-DSC) analysis, UV-visible absorption spectra and fluorescence spectra.This polycrystalline powder lost DMF and H₂O when heated to 120 ℃, then remained stable till the temperature reached 500 ℃.Near infrared fluorescence at 1064 nm due to the ⁴F3/2→⁴I_11/2 transition of Nd³⁺ ions was exhibited when excited by 808 nm laser beam.It was also been found that up-conversion fluorescence of Nd(BTC) peaked at about 450 nm due to ²D_5/2→⁴I_11/2 transition of Nd³⁺ ions can be observed under the excitation of a 580 nm laser line.The mechanism of the up-conversion fluorescence of Nd(BTC) at around 450 nm under the excitation of 580 nm laser can be ascribed to both excited-state absorption and energy transfer up-conversion.This result indicated that such MOF can be employed as an up-conversion luminescence material in many potential application areas such as bio-labeling and fluorescence image.
		2008 Vol. 28 (08): 1734-1736 [Abstract] ( 1584 ) PDF (1241 KB) ( 689 )

	1737	The VUV Luminescence Properties and the Ce³⁺→Tb³⁺ Energy Transfer in the (Sr, Ba)Al₁₂O₁₉
		ZHANG Zhong-yi^{1, 2},ZHANG Yun-hong^1*,LI Xiao-li²,SHEN Lei-jun²,HAN Li²,ZHOU Yong-bo²,XU Jian-hua³,HUANG Yan³
		DOI: 10.3964/j.issn.1000-0593.2008.08.037
		The (Sr, Ba)Al₁₂O₁₉∶RE³⁺(RE=Ce, Tb) compounds have been synthesized by the solid state reaction technology.The single-phase magnetoplumbite-type crystal structure has been identified by the X-ray diffraction analysis.The 302 nm peak and ～340 nm not-clear shoulder are correspondence to the 5d→²F_5/2 and 5d→²F_7/2 transitions in the emission spectrum, respectively.The 158 nm peak and 260 nm peak are separately contributed to the host absorption and 4f-5d transition of Ce³⁺ in the excitation spectrum.The characteristic emission of ⁵D₃→⁷F_j(j=2，3，4，5)and ⁵D₄→⁷F_j(j=4，5，6)transitions in the range of 400-600 nm are assigned in the emission spectrum of (Sr，Ba)Al₁₂O₁₉∶Tb³⁺_0.05.The ～160 nm peaks arises from the overlap of the Tb³⁺-O^2- charge transfer band and the host absorption.The 193 nm and 233 nm peaks are attributed by the spin-allowed 4f-5d transition and the spin-forbidden transition, respectively.The overlap between the emission of Ce³⁺ and the f-f transition absorption of Tb³⁺ exists in the (Sr，Ba)Al₁₂O₁₉∶Tb³⁺, Ce³⁺ compounds.The luminescence intensity of Tb³⁺ increases with the increase of the Ce³⁺ ion concentration.When the Ce³⁺ ion concentration reaches about 0.03 mole, the luminescence intensity of Tb³⁺ ion is nearly two times comparing with the non-codoping Ce³⁺ ion compounds.When the emission wavelength is 543 nm, the excitation spectra exhibit the 4f-5d absorption of Ce³⁺ besides the host absorption and 4f-5d transitions of Tb³⁺ in the (Sr，Ba)Al₁₂O₁₉∶Tb³⁺, Ce³⁺ compounds.According to the excitation spectrum, the part of the emission of Tb³⁺ comes from the absorption of Ce³⁺ ion.Therefore, it is illustrated that the Ce³⁺→Tb³⁺ energy transfer has been existed in the (Sr, Ba)Al₁₂O₁₉∶RE³⁺(RE=Ce, Tb) compounds.
		2008 Vol. 28 (08): 1737-1740 [Abstract] ( 262 ) PDF (2979 KB) ( 618 )

	1741	Study on Electro-Degradation of New Conjugated Polymer PFO-BT15 Light Emitting Diodes
		QIN Zhe¹,XU Wei²,LIN Hai-bo¹,WANG Bin¹,SUN Xiu-feng¹,XU Xiao-xuan¹,YU Gang¹,ZHANG Cun-zhou¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.004
		In the present paper electroluminescence spectrum and Raman spectrum were used to study electro-degradation of polymer light emitting devices (PLEDs) of PFO-BT15, a new and high-efficiency emitting polymer synthesized by the institute of polymer optoelectronic material & devices(IPOM) in South China University of Technology.The PLEDs with a configuration of ITO glass/PEDOT(120 nm)/PFO-BT15(80 nm)/Ba(4 nm)/Al(200 nm) emitted green light at 550 nm when 5 V dc voltage was applied.Three of those devices were used to study the electro-degradation mechanism of PLEDs.Device A was deposited in vacuum box in dark room to keep sample fresh；Device B was first lighted with current of 1 mA·0.25 cm^-2 for 200 minutes, then with current of 5 mA·0.25 cm^-2 for 60 minutes, finally with current of 10 mA·0.25 cm^-2 for 40 minutes；Device C was lighted with current of 20 mA·0.25 cm^-2 until the electroluminescence failure.Our experimental results indicate that the degradation speeds highly depend on the current through the devices.The stressed devices show the decrease in electroluminescence efficiency.However, the luminescence spectrum of the stressed device did not change compared with the fresh device, which suggest that the structure of the luminescent polymer did not change with the electro-stress.Raman spectrum was employed to probe the structure changes of the materials used in the device.We found that the PEDOT Raman peak disappeared and the PFO-BT15 Raman peak still existed in electro-stress device.The results confirmed that it was the breakage of the PEDOT layer instead of degradation of emitting polymer, that led to the final failure of the PLEDs device.This work gives some valuable information for the design and development of highly stable organic light-emitting device.
		2008 Vol. 28 (08): 1741-1744 [Abstract] ( 1485 ) PDF (1280 KB) ( 778 )

	1745	Photolumimescence Character of Novel Phthalocyanine
		XIA Dao-cheng^1,2,GAO Fu-bin³,MA Chun-yu¹,YU Shu-kun³,JI Dong-mei¹,DU Xi-guang⁴,DU Guo-tong^{1, 3*}
		DOI: 10.3964/j.issn.1000-0593.2008.08.042
		In the present paper, the authors study the photolumimescence spectra of the novel 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine casting film and vacuum-deposited film.Photolumimescence spectras of casting film on the quartz substrate were measured at 10, 77，177 and 300 K, and the photolumimescence spectra of vacuum-deposited film with a thickness of about 200 nm on the silicon substrate was studied at room temperature (300 K).For 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine, the casting films all show fluorescence peaks at 942, 937, 942 and 942 nm and phosphorescence peaks at 1 114, 1 057, 1 114 and 1 114 nm in the photolumimescence spectra at 10, 77，177 and 300 K, respectively.In the cases of 2,3-tetra-(2-isopropyl-5-methyl -benzoyl) hydrogen phthalocyanine, the peaks of excimers, which are related with the resistance ability of molecular aggregation, were found around 1 673 nm as observed from photolumimescence spectra of the novel phthalocyanine casting films at 177 and 300 K.And the peak of excimers at 300 K is stronger than at 177 K also as can be seen from photolumimescence spectra of its casting films.With the increase in the temperature, the fluorescence peak was weakened and the peaks of excimers became stronger from the photoluminescence spectra of 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine casting films at 10, 77，177 and 300 K.At the same time, the authors discussed the reason for coming into being 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine excimers as can be concluded from the structure of 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine molecules through the parameters of Chem 3D Ultra 9.0 MM2 calculation and simulated diagram of C_4h isomer of 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine.The peaks of casting film and vacuum-deposited film of 2,3-tetra-(2-isopropyl-5-methyl -benzoyl) hydrogen phthalocyanine presented different maximum emission wavelength and full width at half maximum.The peak of 2,3-tetra-(2-isopropyl-5-methyl-benzoyl) hydrogen phthalocyanine vacuum-deposited films displays the maximum emission wavelengths around 1 140 nm, while the maximum emission wavelengths of casting films show obvious differences compared with the vacuum-deposited films.The usual full width at half maximum is approximately 300 nm for casting film, which is in contrasts with that the full width at half maximum is about 100 nm for the vacuum-deposited film as can be seen from photolumimescence spectra of 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine casting film and photolumimescence spectra of 2,3-tetra-(2-isopropyl-5-methylbenzoyl) hydrogen phthalocyanine vacuum-deposited film.
		2008 Vol. 28 (08): 1745-1748 [Abstract] ( 278 ) PDF (1211 KB) ( 807 )

	1749	*Study on the Eucalyptus* and Poplar by Generalized Two-Dimensional Infrared Correlation Spectroscopy**
		HUANG An-min¹,ZHOU Qun²,FEI Ben-hua^1,SUN Su-qin^2
		DOI: 10.3964/j.issn.1000-0593.2008.08.038
		Poplar and Eucalyptus were identified fast by Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional correlation spectroscopy (2D) in the present paper.The two kinds of wood were similar to each other in one-dimensional IR spectra but quite different in 2D FTIR spectra.In the range between 800 and 1 500 cm^-1, they are similar and three strong auto-peaks were aroused around 1 221, 954 and 879 cm^-1in synchronous spectrum and four weak auto-peaks were aroused around 1 470, 1 150, 1 105 and 1 008 cm^-1, respectively.In the range between 1 500 and 1 800 cm^-1, one strong auto-peak appeared with Poplar around 1 665 cm^-1 and one weak auto-peak appeared around 1 600 cm^-1 in synchronous spectrum.They fromed one pair of cross-peaks, whereas three auto-peaks not only at 1 650 cm^-1 but also at 1 725 and 1 600 cm^-1 appeared with Eucalyptus and they became one 3×3 peak cluster.In addition, Eucalyptus has two weak auto-peaks at 1 580, 1 510 cm^-1 and four negative cross-peaks at (1 725 and 1 580 cm^-1), (1 650 and 1 580 cm^-1), (1 600 and 1 580 cm^-1) and (1 510 and 1 580 cm^-1) and three positive cross-peaks at (1 725 and 1 510 cm^-1), (1 650 and 1 510 cm^-1) and (1 600 and 1 510 cm^-1), respectively, which suggests that corresponding absorbance bands of Eucalyptus are more susceptive to the thermal perturbation than that of Poplar.The difference of 2D correlation between Eucalyptus and Poplar was obvious.The results proved that 2D correlation spectra could enhance the resolution of infrared spectra and increase the capacity of identification, which make it a powerful, rapid and new approach to identifying Eucalyptus and Poplar.
		2008 Vol. 28 (08): 1749-1752 [Abstract] ( 2784 ) PDF (5170 KB) ( 937 )

	1753	Heterogeneous Reactions on the Surface of Atmospheric Particles：A Transmission FTIR Spectroscopy Study
		JIE Chong-yu,CHEN Zhong-ming^*,LI Shuang,WANG Hong-li
		DOI: 10.3964/j.issn.1000-0593.2008.08.028
		Heterogeneous reactions of trace gases on the surface of particles in the atmosphere play a important role in the key atmospheric processes, and have been of increasingly interest in atmospheric sciences.However, these reactions, especially the corresponding detailed kinetics and mechanisms, have not been well understood, due to the deficiencies in the current experimental methods.The authors developed a novel experimental method for the study of heterogeneous reactions, based on transmission FTIR spectroscopy (T-FTIR), providing an understanding of the detailed physical chemistry that occurs on the surface of particles at the molecular level.In this method, the particles were evenly coated on a metal grid, and the gaseous reactant and the infrared beam were introduced to pass through the grid in the reactor.This method was used to explore the heterogeneous reaction of methacrolein (MAC) on the surface of SiO₂ particles, a model heterogeneous reaction, under simulated atmospheric conditions.The result demonstrated that T-FTIR is an applicable and powerful technique for the qualitative and quantitative analysis of such a heterogeneous reaction, due to its excellent spectral signal.In addition, the particle sample will not be scathed due to the low energy of infrared light, thus the in situ investigation of the reaction on particles could be carried out.Compared with the HPLC analysis results, the repeatability and accuracy of the qualitative and quantitative analysis of T-FTIR have proven satisfactory, even though the reactions ran in the humid air.The authors’ method can provide an effective tool for the laboratory simulation of heterogeneous reactions under the atmospheric conditions.
		2008 Vol. 28 (08): 1753-1757 [Abstract] ( 605 ) PDF (1222 KB) ( 813 )

	1758	Study on Natural Photo-Oxidation Degradation of Polypropylene Nanocomposites by Infrared Microscopy
		LI Ji-fang,YANG Rui^*,YU Jian
		DOI: 10.3964/j.issn.1000-0593.2008.08.041
		Polymer nanocomposites have attracted great attention because of the demand for polymer materials with high performance and high functionality at the same time.Nano CaCO₃ and SiO₂ can be used to improve the rigidity of polypropylene (PP), which is quite importance for biaxial orientation PP film.However, the effect of these nano fillers on natural photo-oxidation degradation of PP has not been studied.In the present paper, the natural photo-oxidation profiles along the depth of PP and PP nanocomposites bars were studied with infrared microscope (IM) as well as polarizing lighu microscope (PLM) and scanning electron microscope (SEM).The results indicated that nano CaCO₃ and SiO₂, especially the latter, accelerated the oxidation rate of PP significantly, with more and deeper surface cracks.Larger amount of nano filler gave rise to greater oxidation degradation. The existence of nano CaCO₃ and SiO₂ helped to diminish the spherulite and broaden the transition region from amorphous to crystal.The oxidation development along the depth in PP nanocomposites depended on the diffusion rate of oxygen and underwent two stages.In the first stage, the oxidation degree increased with time because of the low density in the transition region.In the layer under this region, the oxidation is difficult to occur owing to the high density of crystals and oxygen starvation.Therefore, the oxidation depth profiles decreased to near zero at nearly the same depth - about 200 μm from the exposed surface, corresponding to the transition region in PLM observation, namely surface oxidation layer.The high degree of oxidation in the surface layer gave rise to crack formation, and these surface cracks helped further oxidation in PP nanocomposites.In the second stage, the interconnection of surface cracks resulted in the fracture of the seriously oxidized surface oxidation layer.Consequently, the oxidation of the subsurface layer began and the depth profile developed to deeper place.In PP, the much thinner surface amorphous layer and the relatively perfect crystallization under it were responsible for the higher stability during the natural exposure.
		2008 Vol. 28 (08): 1758-1762 [Abstract] ( 2036 ) PDF (2260 KB) ( 721 )

	1763	Study on the Influence of Scan Number on Near-Infrared Diffuse Spectra of Tomato Leaf and Model Precision
		JIANG Huan-yu,PENG Yong-shi,XIE Li-juan,YING Yi-bin^*
		DOI: 10.3964/j.issn.1000-0593.2008.08.035
		Near-infrared spectroscopy technique is non-destructive, simple, fast, highly efficient, cheap to implement, and very recurrent with no sample preparation, and has been a rapid and non-destructive modern qualitative and quantitative technique that has been widely used in many fields.As a powerful analytical tool in product quality determination, this technology is based on the measurement of vibration frequencies of chemical bonds in functional group such as C—C, C—H, O—H, C=O and N—H upon absorption of radiation.However, NIR spectra are affected by the status of spectrometer and the set of parameters when scanning, such as accuracy of wavelength, resolution of apparatus, noise, scan time and uniformity of sample size.To provide foundation with optimum test condition when modeling, the influence of scan number on NIR diffuse spectra of tomato leaf and chlorophyll prediction model precision was studied.102 tomato leaf samples were used in this experiment.Partial least-squares (PLS) was used to develop models and evaluate and compare these models.The results show that scan number does have effect on NIR spectra and prediction models.Variance value of root mean square (RMS) noise of NIR spectra diminished gradually with the increment of scan number.The spectral quality with high scan number was high, however, the system error of instrument increased too.The spectral quality with low scan number was low, while the spectra were smooth and system error of instrument decreased too.The determination coefficient of chlorophyll calibration and prediction model was highest with 128 scan number, however, the model was not robust.But with 32 scan number, although the coefficient was low, the calibration and prediction model was robust and only a short test time was needed.At the same time, the difference of models to predict chlorophyll contents with different scan numbers was not distinct (α＝0.05).Different influence factors should be considered when modeling.
		2008 Vol. 28 (08): 1763-1766 [Abstract] ( 808 ) PDF (953 KB) ( 723 )

	1767	Method for Measuring Water Content in Fresh Meat Using Diffusion Reflectance Near Infrared Spectroscopy and Experiment
		JI Rui-qin^1,2,HUANG Lan¹,LIU Li¹,WANG Zhong-yi^1*
		DOI: 10.3964/j.issn.1000-0593.2008.08.039
		A method was established to determine water content of fresh meat in deep layer based on NIRS diffusion reflectance spectroscopy by using LEDs.The experimental apparatus was established to investigate internal water content with repeated experiments for pork and mince pork；the water concentration and the water content detected by standard method is linear, and the r² is larger than 0.90.Calculation of coefficient of variability (CV) and intra class correlation (ICC) procedures were applied to assess test-retest reliability of this measuring method.The CV and ICC values were found to be good (CV≤5%；ICC=0.83).The experimental result indicated that the fast non-invasive measurement method for detecting water content in deep layer of fresh meat based on spatially-resolved spectroscopy was feasible.
		2008 Vol. 28 (08): 1767-1771 [Abstract] ( 262 ) PDF (1409 KB) ( 806 )

	1772	Research on the Background Correction in the Non-Invasive Sensing of Glucose by Near-Infrared Spectroscopy
		LIU Rong,GU Xiao-yu,XU Ke-xin^*
		DOI: 10.3964/j.issn.1000-0593.2008.08.036
		For the non-invasive blood glucose concentration sensing by the near-infrared spectroscopy, the signal to noise ratio of the optical measurement system is very low.Both the content of glucose in body and the absorption coefficient of glucose in the near-infrared region are quite weak.More over, the structure of spectral noise is complicated and the variation of noise intensity is very large.The background correction is one of the most effective pre-processing methods to improve the signal to noise ratio of the near-infrared optical detection system.In this paper, the theory expression formula of traditional background correction method was induced firstly.Then in order to avoid the influence from the variation of optical characteristics in the sample and the drift in the optical system, the similar background correction method was proposed, that is, the background which has the similar optical characteristics with the sample was chosen as the reference.The in vitro experiments of pure absorption media and scattering media were conducted to validate the effect.The results showed that, for the glucose in the blood plasma solution and Intralipid-2% solution, after the correction of the background which has the similar optical characteristics with the sample, the prediction precision of multivariate model for glucose concentration has been improved by 25.9% and 40.1%, respectively.
		2008 Vol. 28 (08): 1772-1775 [Abstract] ( 1407 ) PDF (1100 KB) ( 846 )

	1776	Study on the Measurement of the Atmospheric Extinction of Fog and Rain by Forward-Scattering Near Infrared Spectroscopy
		WANG Mian,LIU Wen-qing,LU Yi-huai,ZHAO Xue-song,SONG Bing-chao,ZHANG Yu-jun,WANG Ya-ping,LIAN Cui-hua,CHEN Jun,CHENG Yin,LIU Jian-guo,WEI Qing-nong
		DOI: 10.3964/j.issn.1000-0593.2008.08.005
		In the visible and near IR，absorption is negligible so that the atmospheric extinction can be derived by atmospheric scattering which is mainly contributed by fog droplet, rain droplet, another types of droplet and small articles.The forward-scattering visibility meter (FVM) works by illuminating with near IR light a small sample volume of about 100 mL of air and measuring the intensity scattered in the angular range of 30° to 36° degrees.The scattered intensity is proportional to the extinction coefficient regardless of the article size distribution and after wavelength calibration.The ratio of scattered signal to extinction coefficient of fog and haze can be achieved by comparative test of FVM outputs and manual observations.Nevertheless, as a result of the application of the measurement during rain with the ratio of fog and haze, an unacceptable error is raised.To obtain an accuracy extinction measurement during rain, an appropriated ratio of scattered signal to extinction coefficient of rain would be found.The calculation for different size distributions of fog and rain with Mie theory has been made in this paper.And a comparison of extinction measurements made with two FVMs and manual observations during fog and rain has been made.The result shows that during rain the FVM extinction coefficient is from 20% to 60% greater than that of manual observations.This result can be used to define correction factors so that the FVM using forward-scattering near IR spectroscopy not only can be used to estimate extinction during fog and haze as well as during rain.
		2008 Vol. 28 (08): 1776-1780 [Abstract] ( 915 ) PDF (1756 KB) ( 1015 )

	1781	Raman Lidar Measuring Tropospheric Temperature Profiles With Many Rotational Raman Lines
		SU Jia^1,2,ZHANG Yin-chao³,HU Shun-xing¹,CAO Kai-fa¹,ZHAO Pei-tao¹,WANG Shao-lin¹,XIE Jun¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.047
		Due to lower tropospheric aerosols, the Rayleigh and vibrational Raman methods can’t measure lower tropospheric temperature profiles accurately.By using N2 and O₂ molecular pure rotational Raman scattering signals, lower tropospheric temperature profiles can be gained without influence of lower tropospheric aerosols.So we decide to use a pure rotational Raman Lidar to get lower tropospheric temperature profiles.At present, because the most light-splitting systems of pure rotational Raman Lidar measure temperature by gaining a single rotational Raman line, the signal to noise ratio (SNR) of these Lidar systems are very low.So we design a new kind of Lidar light-splitting system which can sum different rotational Raman lines and it can improve SNR.And we can find the sensitivity of the temperature of the ratios of multi rotational Raman lines is as same as single rotational Raman line’s through theoretical analysis.Moreover, we can obtain the temperature profiles with good SNR from this new the system with a normal laser and a small telescope up to several kilometers.At last, with the new light-splitting system, the lower tropospheric temperature profiles are measured from 0.3 km to 5 km altitude.They agree well with radiosonde observations, which demonstrate the results of our rotational Raman lidar are reasonable.
		2008 Vol. 28 (08): 1781-1785 [Abstract] ( 318 ) PDF (1609 KB) ( 1008 )

	1786	The Study of Instrument Response Function of FTIR Detectors
		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.1000-0593.2008.08.044
		FTIR spectrometer detectors have different instrument response function in different wave band.In application, no matter absolute or relative intensity of spectrum the authors use, the authors should calibrate the instrument with standard blackbody to find the instrument response function.In the present paper, the authors study the instrument response function of detectors (InSb detector and MCT detector) in Canada MOMAN MR154 FTIR spectrometer.The authors found the law of the change in instrument response function with temperature (radiation brightness).It is important for FTIR spectrometer calibration.
		2008 Vol. 28 (08): 1786-1789 [Abstract] ( 285 ) PDF (1850 KB) ( 811 )

	1790	Quantity Analysis of Information Decomposition for Near-Infrared Diffuse Reflectance Spectra
		ZHANG Wen-juan¹,ZHANG Lu-da^2*,LI Jun-hui¹,ZHAO Long-lian¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.048
		Near infrared (NIR) diffuse reflection spectra can be used to obtain samples’ chemical component content and physical parameters with few pretreatments.As a fast and nondestructive technique, NIR has been widely accepted.The diffuse reflection light is detected after interaction with sample.Generally, it is thought that the light carries the interior information of sample, but no one can definitely depict how much information of inner sample can be collected.In the present study, three kinds of flue-cured tobacco were used to design our tests.Each kind of tobacco was prepared in two forms, slice and powder.Then we got three slice tobacco samples and three powder tobacco samples.Every experimental sample consisted of one slice tobacco and one powder tobacco.The slice tobacco was put in the bottom of the sample-cup and the powder tobacco was placed on top of the slice tobacco.Combining different slice tobaccos with different powder tobaccos, the authors can get nine experimental samples.Every experimental sample was scanned from the bottom of the sample-cup for each sample using Bruker MPA FT-NIR instrument four times repeatedly, then we got 36 pieces of NIR spectra totally.In order to find the relationship between the deep light penetration and variance contribution rate of different principal components (PC) of NIR spectra, cluster analysis was carried out using different combination of PC.When the first and second PC were chosen, the samples were clustered according to the exterior slice tobacco；Using the third and fourth PC, the samples were clustered according to the interior powder tobacco.Combining the variance contribution rates of different PC, we could elementarily describe NIR spectra information composition according to the path length of the light penetration quantitatively.Results showed that the first and the second PC contained about 98% spectra information which represented the exterior information, and the third and the fourth PC contained about 1.5% which represented the interior information of the sample.These results can help us profoundly understand the importance of PC selection in NIR qualitative and quantitative analysis.
		2008 Vol. 28 (08): 1790-1794 [Abstract] ( 286 ) PDF (1368 KB) ( 834 )

	1795	The Online Measurement for Pulp Kappa Number Based on Near Infrared Spectroscopy and Support Vector Machine
		YANG Chun-jie,HE Chuan,SONG Zhi-huan
		DOI: 10.3964/j.issn.1000-0593.2008.08.049
		A new method for online measurement of pulp Kappa number by means of near infrared diffuse reflectance spectroscopy and support vector machine (SVM) modeling has been developed in this paper.The near infrared diffuse reflectance spectroscopy of 45 Chinese red pine wood pulp samples was acquired.Selecting the absorption rates in 15 vibration absorption peaks of each sample and using dynamic independent component analysis (DICA) to distill the characters of input sample data，the pulp Kappa number predictive model based on SVM was built.From the whole 45 samples，35 samples was selected to be the calibration set，and the predictive set consisted of the other 10 samples was used to validate the the pulp Kappa number predictive model.The external validation standard deviation is 0.26 for pulp Kappa number predictive model based on SVM，and the determining factor is 0.93 for the model.The internal cross validation standard deviation is 0.22 for pulp Kappa number predictive model based on SVM，and the determining factor is 0.96 for the model.To analyze the effectiveness of SVM method used to build the pulp Kappa number predictive model, the pulp Kappa number predictive model based on linear regression(LR) was also established. The external validation standard deviation is 0.45 for the model based on linear regression(LR)，and the determining factor is 0.81 for the model.The internal cross validation standard deviation is 0.41 for the model based on linear regression(LR)，and the determining factor is 0.85 for the model.For the 10 test samples, the pulp Kappa number predictive model based on Linear regression(LR) and the model based on SVM all have certain predictive accuracy, but the later higher.The experiment results not only show the feasibility and effectiveness of the near infrared measurement method for pulp Kappa number，but also validate that the pulp Kappa number predictive model based on SVM is more accurate and robust than linear regression model.
		2008 Vol. 28 (08): 1795-1798 [Abstract] ( 339 ) PDF (1287 KB) ( 963 )

	1799	Quantitative Analysis of Surface Composition of Polypropylene Blends Using Attenuated Total Reflectance FTIR Spectroscopy
		CHEN Han-jia^1,2,ZHU Ya-fei³,ZHANG Yi²,XU Jia-rui^2*
		DOI: 10.3964/j.issn.1000-0593.2008.08.006
		The surface composition and structure of solid organic polymers influence many of their properties and applications.Oligomers such as poly(ethylene glycol) (PEG), poly(methyl methacrylate) (PMMA) poly(butyl methacrylate) (PBMA) and their graft copolymers of polybutadiene and polypropylene were used as the macromolecular surface modifiers of polypropylene.The compositions on surface and in bulk of the polypropylene(PP) blends were determined quantitatively using attenuated total reflectance FTIR spectroscopic (ATR-FTIR) technique with a variable-angle multiple-reflection ATR accessory and FTIR measurements, respectively.By validating by Lambert- Beer law, 1 103 and 1 733 cm^-1 can be used to represent modifiers characteristic absorbance band to determine quantitatively the surface composition of modifiers including poly(ethylene glycol) and carbonyl segment in PP blends, respectively.The determination error can be effectively eliminated by calibrating wavelength and using absorption peak area ratio as the calibrating basis for the quantitative analysis.To minimize the effect of contact between the polymer film and the internal reflection element on the results of absolute absorbance, the technique of “band ratioing” was developed, and it was testified that the error of the peak area ratios of interest can be reduced to 5% or below, which was suitable for ATR-FTIR used as a determining quantitative tool for surface composition.The working curves were then established and used to calculate the composition of the responding functional groups in the film surface of the PP blends.The depth distribution of modifiers on the surface of blend films also can be determined by changing the incident angle of interest on the basis of the equation of the depth of penetration of the excursion wave in ATR spectra.The results indicated that ATR-FTIR can be used to determine quantitatively the surface composition and distribution of modifiers with reproducible and reliable measurement results.
		2008 Vol. 28 (08): 1799-1802 [Abstract] ( 2154 ) PDF (1182 KB) ( 902 )

	1803	Application of HATR-FTIR Spectroscopy Combined with Cluster Analysis to Identification of Cuscuta Chinensis Lam and Its Unofficial Varieties
		HONG Qing-hong^1,2,CHENG Ze-feng²,LI Qun-li¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.050
		Horizontal attenuated total reflectance Fourier transform infrared spectroscopy was used to identify Cuscuta chinensis lam.samples directly and their chemical differences were compared.In addition to FTIRS/cluster analysis, the kindredship between the different varieties of official and unofficial Cuscuta chinensis lam was studied.As shown by the results of cluster analysis, the four samples mentioned above were separated to three groups,The proposed method can be effectively applied to analyse the qualitify of Cuscuta chinensis lam.
		2008 Vol. 28 (08): 1803-1805 [Abstract] ( 1877 ) PDF (1247 KB) ( 1164 )

	1806	Study on Discrimination of Corn Seed Based on Near-Infrared Spectra and Artificial Neural Network Model
		CHEN Jian¹,CHEN Xiao¹,LI Wei^1*,WANG Jia-hua²,HAN Dong-hai²
		DOI: 10.3964/j.issn.1000-0593.2008.08.026
		A new non-destructive and rapid method was developed to discriminate varieties of corn seeds.The method is based on near-infrared reflectance spectroscopy (NIRS) and artificial neural network (ANN).The corn seeds used for this study involved four varieties：Gaoyou115, Nongda368, Nongda108 and Nongda4 967.After collecting the near-infrared reflectance spectrum of each single seed in the range between 1 000 and 2 632 nm, the principal component analysis (PCA) was used to compress the NIR spectra, which had been preprocessed with Savitky-Golay and multiplicative scatter correction (MSC).The analysis results showed that the cumulate reliabilities of PC1 to PC8 (the first eight principal components) were 99.602%.A three-layer back-propagation neural network (BPNN) was developed for classification, which was trained by the Levenberg-Marquard algorithm to improve the network training speed and efficiency.The LMBP was activated by the sigmoid function, and normalization of targets was used to get the best discrimination result of network.The first eight principal components of the samples were applied as LMBPNN inputs, and the values of the type of corn seeds were applied as the outputs.In this model, 120 kernels were used as the training data set and 40 kernels were used as the test data set.Calculation results showed that the distinguishing rate of the four corn seed varieties was 95%.This model is reliable and practicable.The results demonstrated that this identification method was rapid and non-destructive, and could be used for classification.
		2008 Vol. 28 (08): 1806-1809 [Abstract] ( 3195 ) PDF (1113 KB) ( 1470 )

	1810	Fast Detection of Sugar Content in Fruit Vinegar Using NIR Spectroscopy
		WANG Li¹,LI Zeng-fang²,HE Yong^1*,LIU Fei¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.001
		For the fast and exact detection of sugar content of fruit vinegar, near infrared (NIR) spectroscopy technique combined with least squares support vector machines (LS-SVM) algorithm was used to build the prediction model of sugar content in the present research.NIR spectroscopy is a nondestructive, fast and accurate technique for the measurement of chemical components based on overtone and combination bands of specific functional groups.The pivotal step for spectroscopy technique is how to extract quantitative data from mass spectral data and eliminate spectral interferences.Principal component analysis (PCA) is a method which has been widely used in the spectroscopic analysis, and LS-SVM is a new data mining algorithm developed from the machine learning community.In the present study, they were used for the spectroscopic analysis.First, the near infrared transmittance spectra of three hundred samples were obtained, then PCA was applied for reducing the dimensionality of the original spectra, and six principal components (PCs) were selected according the accumulative reliabilities (AR).The six PCs could be used to replace the complex spectral data.The three hundred samples were randomly separated into calibration set and validation set.Least squares support vector machines (LS-SVM) algorithm was used to build prediction model of sugar content based on the calibration set, then this model was employed for the prediction of the validation set.Correlation coefficient (r) of prediction and root mean square error prediction (RMSEP) were used as the evaluation standards, and the results indicated that the r and RMSEP for the prediction of sugar content were 0.993 9 and 0.363, respectively.Hence, PCA and LS-SVM model with high prediction precision could be applied to the determination of sugar content in fruit vinegar.
		2008 Vol. 28 (08): 1810-1813 [Abstract] ( 1398 ) PDF (1133 KB) ( 1057 )

	1814	Application of Near Infrared Spectroscopy in Rapid and Simultaneous Determination of Essential Components in Five Varieties of Anti-Tuberculosis Tablets
		TENG Le-sheng,WANG Di,SONG Jia,ZHANG Yi-bo,GUO Wei-liang,TENG Li-rong^*
		DOI: 10.3964/j.issn.1000-0593.2008.08.020
		Since 1980s, tuberculosis has become increasingly serious.Rifampicin tablets, isoniazide tablets, pyrazinamide tablets, rifampicin and isoniazide tablets and rifampicin isoniazide and pyrazinamide tablets are currently relatively efficacious anti-tuberculosis drugs.In the present paper, near infrared spectroscopy (NIRS) with partial least squares (PLS) was applied to the simultaneous determination of rifampicin (RMP), isoniazide (INH) and pyrazinamide (PZA) contents in 5 varieties of anti-tuberculosis tablets.As the results showed, all of the models for the determination of RMP, INH and PZA contents applied the original NIR spectra.The most efficacious wavelength range for the determination of RMP contents was 1 981-2 195 nm, it was 1 540-1 717 nm and 2 086-2 197 nm for the determination of INH contents, and it was 1 460-1 537 nm, 1 956-2 022 nm and 2 268-2 393 nm for determination of PZA contents.The root mean square error of the calibration set obtained by cross-validation (RMSECV) of the optimum models for the quantitative analysis of RMP, INH and PZA contents was 0.049 4, 0.025 7 and 0.030 7, respectively.Using these optimum models for the determination of RMP, INH and PZA contents in prediction set, the root mean square error of prediction set (RMSEP) was 0.018 2, 0.016 6 and 0.013 4, respectively.The correlation coefficient (r_p) between the predicted values and actual values was 0.986 4, 0.998 9 and 0.999 3, respectively.These results demonstrated that this method was precise and reliable, and is significative for in situ measurement and the on-line quality control for anti-tuberculosis tablets production.
		2008 Vol. 28 (08): 1814-1818 [Abstract] ( 2524 ) PDF (1531 KB) ( 1090 )

	1819	Study on the Skin-Core Evolvement of Carbon Fibers as a Function of Heat Treatment Temperature by Raman Spectroscopy
		LIU Fu-jie^1,2,FAN Li-dong¹,WANG Hao-jing^1*,ZHU Zhen-ping¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.024
		The skin-core evolvement of the carbon fibers was studied as a function of heat-treatment temperature though the analysis of Raman spectroscopy of the carbon fibers surface and core.It was found that the change of the Raman spectra of the carbon fibers core was similar to that on the surface with the increase in heat-treatment temperature.At 1 600 ℃, the R_s and R_c values were almost equal, indicating that the degrees of the graphitization of the carbon fibers surface and core were almost uniform.The R_s and R_c values decreased dramatically with the increase in heat-treatment temperature, and R_s decreased more.At 2 800 ℃, the R_s value came to 0.429, lowered 77.2%, while the R_c value then came to 1.101, lowered 38.7% only.It implied that the graphitization degree of the carbon fibers was enhanced with increasing the heat treatment temperature, and that of carbon fibers surface was enhanced more.The graphite characters of the carbon of the carbon fibers surface were different from that of the carbon fibers core.The former is close to soft carbon, which is easy to graphitize, while the latter is close to hard carbon, which is difficult to graphitize, and it may be resin carbon.Skin-core structure gene R_sc(＝R_s/R_c) which denoted the skin-core degree of the carbon fibers was first brought forward and adopted.The R_sc value is between 0 and 1.When the R_sc value is equal to 1, the carbon fibers are homogenous.When the R_sc value is close to zero, there are serious skin-core structures in the carbon fibers.The R_sc value reduced linearly with the increase in heat-treatment temperature, indicating that the homogeneous degrees of the carbon fibers decreased and the skin-core degrees of the carbon fibers increased.The crystallite size of the carbon fibers surface and core increased gradually with the increase in heat-treatment temperature, but the surface’s increased more quickly, indicating that the carbon of the carbon fibers surface was easier to graphitize than the carbon fibers core.Serious skin-core structure was one of the reasons that caused the reducing of the carbon fibers’ tensile strength.
		2008 Vol. 28 (08): 1819-1822 [Abstract] ( 2839 ) PDF (1455 KB) ( 956 )

	1823	Detection of Antioxidative Capacity of Bamboo Leaf Extract by Scavenging Superoxide Anion Free Radical
		GUO Xue-feng,YUE Yong-de^*,TANG Feng,WANG Jin,YAO Xi
		DOI: 10.3964/j.issn.1000-0593.2008.08.027
		By studying absorption spectrum, oxidation velocity of pyrogallic acid reaction system, the effect of pyrogallic acid concentration and buffer pH value on the scavenging rate for superoxide anion free radical coming from reaction system was investigated, and some results were obtained as follows, the wavelength used for the pyrogallic acid reaction system was determined by spectrophotometric method：319.5 nm.Some parameters of the reaction system were determined as follows：reaction volume：10 mL, reaction time：9 min, volume of pyrogallic acid(3 mmol·L^-1)：0.3 mL, pH value of buffer：8.2 and oxidation velocity：0.035.The relation between scavenging rate for superoxide anion free radical and concentration of TBHQ and bamboo leaf extract samples was studied by our method, and IC₅₀ (the value of antioxidant concentration at scavenging half of superoxide anion free radical) was used as the index to evaluate scavenging capacity.IC₅₀ value of TBHQ and most effective samples were as follows：TBHQ(95.01 mg·L^-1) and M40(298.69 mg·L-1).M40 and other bamboo leaf extract could be used as natural antioxidant.
		2008 Vol. 28 (08): 1823-1826 [Abstract] ( 816 ) PDF (1295 KB) ( 1110 )

	1827	Study on Hyperspectral Estimation Model of Crop Vegetation Cover Percentage
		ZHU Lei^1,2,XU Jun-feng^1,3,HUANG Jing-feng^1,3,WANG Fu-min^1,3*,LIU Zhan-yu^1,2,WANG Yuan^1,2
		DOI: 10.3964/j.issn.1000-0593.2008.08.021
		In order to boost the study and application of hyperspectral remote sensing for the estimation of crop vegetation coverage percentage, an ASD FieldSpec Pro FRTM spectroradiometer was used for canopy spectral measurements of rape, corn and rice at different vegetation cover levels and photos of individual plants were taken simultaneously in order to calculate the vegetation cover percentage in computer.Firstly, data of three crops respectively and the mixed data of them were used to make correlation analysis between vegetation coverage percentage and reflectance spectra.There was a high correlation between them and no obvious difference in correlation coefficient among different types of crop in the region of blue, red and near-infrared band.This indicated that it was feasible to make correlation analysis and build estimation model using mixed data.Secondly, mixed data were used as unique analytical data to calculate red edge variables and pair combination of bands in the region of blue, red and near-infrared band was used to calculate normal difference vegetation index (NDVI).Hyperspectral estimation models with NDVI and red edge variable as independent variable were built individually.The correlation coefficient of the former was larger than the latter, which indicated that NDVI was most effective for the estimation of vegetation coverage percentage.Effective wavelength combinations of NDVI for vegetation cover percentage estimation were determined based on the principle of higher correlation coefficient.NDVI combined with bands in the regions from 350 to 590 nm and from 710 to 1 150 nm or bands in the regions from 590 to 710 nm and from 710 to 1 300 nm are most effective for vegetation coverage percentage estimation.The best estimation model is simple quadratic equation using NDVI_696－921 as independent variable.The correlation coefficient matrix shows that most of the correlation coefficients of vegetation coverage percentage and NDVI combined with bands in the regions from 630 to 690 nm and from 760 to 900 nm are larger than 0.8.These two band regions correspond to TM₃ and TM₄ of landsat 4,5,7.It proves that NDVI_TM₃-TM₄ can be used to and has been used to simulate vegetation coverage percentage.In order to further the study, TM₃ and TM₄ of Landsat5 was modeled according to spectral response function to calculate NDVI.Correlation analysis was made with NDVI and corresponding vegetation coverage percentage.The correlation coefficient of them was 0.80 and the regression equation was verified by experimental data.This is exploratory research for the calculation of vegetation coverage percentage using TM data in large area.
		2008 Vol. 28 (08): 1827-1831 [Abstract] ( 333 ) PDF (1623 KB) ( 923 )

	1832	A Hyperspectral Small Target Detection Method Based on Outlier Detection
		LI Qing-bo,LI Xiang,ZHANG Guang-jun^*
		DOI: 10.3964/j.issn.1000-0593.2008.08.032
		In the present paper, a new method was discussed, which used outlier detection algorithms of spectral analytical technology to tell the small target from background.First, continuum removal and standard normal variate were employed to pretreat the AVIRIS remotely- sensed data.It could be regarded that continuum is the absorption of background, and the characteristic absorptions are superposed on the continuum.So the continuum removal is frequently applied to remotely-sensed hyperspectral data to eliminate the contribution of background absorption and separate the characteristic absorption of concerned objects from background.SNV corrects each spectrum by subtracting the mean and dividing by the standard deviation for that spectrum.After the pretreatment, spectral angle mapping was used to reduce the dimension of hyperspectral data.Since this mapping process calculated the similarity between the spectra of each pixel and the average spectrum, no prior information such as standard spectrum library is required.And then, Mahalanobis distances were calculated.As Mahalanobis distance shows the extent to which samples deviate from the total population, the points whose Mahalanobis distance are larger than adaptive threshold were regarded as small target.The adaptive threshold was determined by data mean value and maximum value.Applying the algorithm above to a set of AVIRIS remotely-sensed hyperspectral data which was free downloaded from the NASA official website, small target on the concerned area was picked out correctly. In addition, the above mentioned took about 1/8 time as much as the traditional Mahalanobis distance method without prior reducing dimension of hyperspectral data.Compared with traditional algorithm, no prior information is needed, and less calculating work and time is required.Still, it has got a satisfying accuracy.
		2008 Vol. 28 (08): 1832-1836 [Abstract] ( 1482 ) PDF (1824 KB) ( 986 )

	1837	The Estimation Model of Rice Leaf Area Index Using Hyperspectral Data Based on Support Vector Machine
		YANG Xiao-hua^1,3,HUANG Jing-feng¹,WANG Xiu-zhen²,WANG Fu-min^1*
		DOI: 10.3964/j.issn.1000-0593.2008.08.043
		In order to compare the prediction powers between the best statistical model and SVM technique using each VI for rice LAI, the VIs are as independent variables in statistical models and are as net inputs in SVM, and the rice LAI are as dependent variables in statistical models and are as net outputs in SVM.Hyperspectral reflectance (350 to 2 500 nm) data were recorded in two experiments involving four replicates of two rice cultivars (“Xiushui 110” and “Xieyou 9308”), three nitrogen levels (0, 120, 240 kg·ha^-1 N), and with a plant density of 45 plants·m^-2.The first experiment was seeded on 30 May 2004 and the second experiment on 15 June 2004.Both sets of seedlings were transplanted to the field one month later.Hyperspectral reflectance was ground-based and measured using Analytical Spectral Devices^TM and 1 meter above the rice canopy.The solar angle compared to nadir was for all measurements less than 45° and no disturbing clouds were observed.Hyperspectral reflectance was transformed to ten different vegetation indices including RVI, NDVI, NDVI_green, SAVI, OSAVI, MSAVI, MCACI, TCARI/OSAVI, RDVI and RVI₂, according to the width of TM bands of Ladsat-5.Different statistical models including linearity model, exponent model, power model and logarithm model, were analyzed using all samples’ LAI and vegetation indices.Three good relationships including exponent relationship of NDVI_green, power relationship of TCARI/OSAVI and power relationship of RV₁₂ were selected based on the R² of models.These three relationships were used to predict the LAI of rice through SVM models with different kernel functions including an analysis of variance kernel (ANOVA), a polynomial kernel (POLY) and a radial basic function kernel (RBF), and corresponding statistical models.The results show that all SVM models have lower RMSE values and higher estimation precision than corresponding statistical models；SVM with POLY kernel function using TCARI/OSAVI has the highest estimation precision for rice LAI compared to other models, and it’s RMSE value is lower than corresponding statistical model by 11 percent points.Therefore, SVM has a high accuracy for learning and a good robustness for estimation of LAI of rice using hyperspectral data.Consequently, SVM provides a useful explorative tool for improvement of the relationships between VIs and rice LAI.
		2008 Vol. 28 (08): 1837-1841 [Abstract] ( 2441 ) PDF (1394 KB) ( 1044 )

	1842	Progress in Spectral Characteristics of Biological Soil Crust of Arid or Semiarid Region
		FANG Shi-bo¹,LIU Hua-jie²,ZHANG Xin-shi³,DONG Ming³,LIU Jian-dong^1*
		DOI: 10.3964/j.issn.1000-0593.2008.08.018
		The Biological Soil Crusts(BSC) (also known as organic or microphytic crust) can be formed by different combinations of microphytic communities including mosses, lichens, liverworts, algae, fungi, cyanobacteria (=blue-green algae or Cyanophyta), as wellas bacteria.Large areas of sand fields in arid and semi-arid regions are covered by BSC.Remote sensing distinction should be made between physical and biogenical crust formations.It was reviewed the advances of domestic and overseas studies of BSC spectral characteristics, as well as spectral reflectance measurement in situ of our workgruop.When the BSC is wet, it turns green, a notable change in the reflectance curve occurs.The wet BSC’s spectral reflectance curve is similar to those of the higher plants and therefore may lead to misinterpretation of the vegetation dynamics and to overestimation of ecosystem productivity.This spectral feature produces a much higher NDVI value for the wet moss BSC than for the dry moss BSC(0.65 vs.0.30 units, respectively), a higher NDVI value for the wet algae BSC than for the dry algae BSC(0.30 vs.0.15 units, respectively).The "maximum value composite" (MVC) technique is used to eliminate the effect of clouds and haze from vegetation maps.Misinterpretation of the vegetation dynamics could be more severe due to the MVC technique used to compose the global vegetation maps in the study of vegetation dynamics.But relatively limited research has been conducted to investigate the spectral characteristics of BSC change with different moisture conditions and under different seasons.More research works could be considered in spectral characteristics of BSC.The researches would be useful for detecing and mapping BSC, from remote sensing imagery.It also is to the advantage to employ Vegetation Index wisely.
		2008 Vol. 28 (08): 1842-1845 [Abstract] ( 847 ) PDF (1002 KB) ( 1082 )

	1846	DWT-iPLS Applied in the Infrared Diffuse Reflection Spectrum of Hydrocarbon Source Rocks
		SONG Ning^1,3,XU Xiao-xuan^1,3,WU Zhong-chen²,ZHANG Cun-zhou^1,3,WANG Bin¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.019
		Infrared spectroscopy is useful to monitor the quality of products on-line, or to quality multivariate properties simultaneously.The IR spectrometer satisfies the requirements of users who want to have quantitative product information in real-time because the instrument provides the information promptly and easily.However, Samples that are measured using diffuse reflectance often exhibit significant differences in the spectra due to the non-homogeneous distribution of the particles.In fact, multiple spectral measurements of the same sample can look completely different.In many cases, the scattering can be an overpowering contributor to the spectrum, sometimes accounting for most of the variance in the data.Although the degree of scattering is dependent on the wavelength of the light that is used and the particle size and refractive index of the sample, the scattering is not uniform throughout the spectrum.Typically, this appears as a baseline shift, tilt and sometimes curvature, where the degree of influence is more pronounced at the longer-wavelength end of the spectrum.The diffuse reflection spectrum is unsatisfactory and the calibration may provide unsatisfactory prediction results.So we must use some methods to remove the effects of the scattering for multivariate calibration of IR spectral signals. Discrete wavelet transform (DWT) is a good method to remove the effects of the scattering for multivariate calibration of IR spectral signals.By using DWT on individual signals as a preprocessing method in regression modeling on IR spectra, good compression is achieved with almost no loss of information, the low-frequency varying background and the high-frequency noise be removed simultaneously.In this report, we use the iPLS method to establish the calibration models of hydrocarbon source rocks.iPLS is a new regression method and the authors can get better results by using DTW- iPLS.
		2008 Vol. 28 (08): 1846-1850 [Abstract] ( 167 ) PDF (1700 KB) ( 556 )

	1851	Emission Spectroscopy Diagnosis of the Radicals Generated in Gas-Liquid Phases Gliding arc Discharge
		YAN Jian-hua, DAI Shang-li, LI Xiao-dong, TU Xin, LIU Ya-na, CEN Ke-fa
		DOI: 10.3964/j.issn.1000-0593.2008.08.057
		Gas-liquid phases gliding arc discharge has been investigated as a potential treatment technology for liquid phase pollution treatment.To further understand the interaction mechanisms of gas-liquid phase gliding arc degradation process for the wastewater treatment, the characteristics of major reactive species (the OH and NO radicals) in a gas-liquid gliding arc at atmospheric pressure have been investigated by using optical emission spectroscopy.The chemical reactions that may lead to the generation of free radicals in the discharge were discussed.The influence of operating conditions (water feed rate, input voltage etc.) on the relative intensity of radical emission was studied.The results show that axial evolution of the relative emission intensity of both reactive species exhibit the similar tendency under the same operating conditions.In non-thermodynamic equilibrium region of the arc discharge, the intensities of both radicals increase with the input voltage.In addition, the intensity of OH radical increases with the water feed rate, while the opposition phenomena are observed for NO radical.
		2008 Vol. 28 (08): 1851-1855 [Abstract] ( 2282 ) PDF (1936 KB) ( 911 )

	1856	Study on Spectroscopic Properties of Eu and Tb Mixed Solid Complexes with a Diamide Ligand
		CUI Hai-xia^1,2,CHEN Jian-min^1*,ZHOU Hui-di¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.033
		In the present work, Eu(NO₃)₃ and Tb(NO₃)₃ complexes with a diamide ligand 1,6-bis[(2’-benzylaminoformyl)phenoxyl]hexane (L) were prepared in the solution of chloroform and ethyl acetate.Their mixed complexes with different molar ratio also synthesized by coprecipitation.Eu and Tb complexes were mixed with different molar ratio, mechanically ground, and a series of mixed solid complexes were obtained.These mixed complexes were characterized by elemental analysis, UV-Vis, IR and XPS spectra.The analytical data were obtained by a Vario EL CHN and indicated that Eu and Tb complexes formed a 2∶3 metal-to-ligand stoichiometries 2RE(NO₃)₃·3L·4H₂O.Their IR spectra were recorded on a Bruke FTS66V/S spectrophotometer.The results indicate that all complexes have similar IR spectra, of which the characteristic bands have similar shifts, suggesting that they have a similar coordination structure.UV-Vis spectra were recorded on a Hitachi U-3010 spectrophotometer and showed that under the influence of the mixed ions, the absorbance of the mixed complexes is not identical with that of the pure complexes.XPS spectra were analyzed on a PHI-5702 X-ray photoelectron spectroscope (XPS) operating with monochromatic Mg Kα irradiation at pass energy of 29.4 eV.The binding energies of O(1s), Eu(3d) and Tb(4d) in the two kinds of mixed complexes were changed compared with Eu-L and Tb-L complexes.This indicates that these two synthetic methods were not a simple physical mixing process, but there was some chemical effect between the mixed Eu-L and Tb-L complexes.The fluorescence spectra of the mixed complexes were obtained on a Hitachi F-4500 spectrophotometer at room temperature.The excitation and emission slit widths was 1.0 nm.It was concluded from the excitation spectra that the best excitation wavelengths for Eu and Tb complexes are 396 and 320 nm respectively.For the convenience of comparing the fluorescence intensities with each other, the excitation wavelengths were set to 320 nm.For the mixed complexes prepared by coprecipitation, the peak positions of the ⁵D₄→⁷F₆ and ⁵D₄→⁷F₅ transitions were not changed.The peak at 590 nm was assigned to the ⁵D₀→⁷F₁ and ⁵D₄→⁷F₄ transitions.Its position is dependent on the content of Eu and Tb complexes.When the content of Eu complex is large, this peak is near to the position of the ⁵D₀→⁷F₁ transition, but when the content of Tb complex is large, it is near to the position of the ⁵D₄→⁷F₄ transition.The peak at 620 nm is a combined peak of the ⁵D₀→⁷F₂ and ⁵D₄→⁷F₃ transitions.It has a similar change with the peak at 590 nm.The change of these peak positions could indicate that there was interaction between Eu and Tb complexes.The fluorescence intensities of the mixed solid complexes were changed obviously as compared with the pure Eu and Tb complexes.The fluorescence intensities of their ⁵D⁴→⁷F₆ and ⁵D₄→⁷F₅ transitions were lower than those of the Tb complex as well as the theoretical values calculated by the molar ratio of Tb complex, and decreased with the increase in the content of Eu complex, which shows that the fluorescence intensities of terbium ions were quenched by europium ions.The fluorescence intensities of the two combined peaks at 590 and 620 nm are higher than that of Eu complex but lower than that Tb complex and they increased with the increase in the content of Tb complex, which indicates that the fluorescence intensities of Eu³⁺ were sensitized by Tb³⁺.In the mixed complexes prepared by grinding, the fluorescence intensities of Eu³⁺ were also sensitized by Tb³⁺ and the fluorescence intensities of Tb3+ are also quenched by Eu³⁺.Under the excitation of UV light, the mixed complexes resulted by coprecipitation exhibit different fluorescence color.
		2008 Vol. 28 (08): 1856-1861 [Abstract] ( 1581 ) PDF (1409 KB) ( 618 )

	1862	Studies on the Spectral Characteristics of Efficient HIV-1 Fusion Inhibitor C22
		SHI Jun^1,2,HE Jiao-juan¹,WANG Shi-long^1*,SUN Xiao-yu¹,CHEN Qing-yu²
		DOI: 10.3964/j.issn.1000-0593.2008.08.022
		Acquired immune deficiency syndrome (AIDS) is increasing its negative influences on human society and economy.In the present paper, HIV-1 cell fusion peptide inhibitor C22 was expressed and purified based on the C-terminal sequence of HIV-l membrane fusion glycoprotein gp41.The gene coding for C22 was totally synthesized using gp41 gene as a template and amplified by PCR.The cloned C22 gene was confirmed by restriction endonuclease and sequence analysis and then cloned into plasmid pTMHa30-51.The prepared plasmid was transformed into E.coli BL21 (DE3) and the expressing products were analyzed on SDS-PAGE and tested with mass spectrum.The results indicated that C22 showed high HIV-1 fusion inhibiting capacity, meanwhile, with good thermal stability and water-solubility, and showed no cell toxicity in tested concentrations.The spectral characteristics were tested with circular dichroism (CD).When treated at different temperature in solution condition, the content of α helix of C22 increased at 37 ℃ while decreased sharply at 80 ℃.The peak value changed significantly with different pH values.The content of α helix of C22 decreased as pH varied toward acid and alkali and the random coiling increased, which led to a relaxed structure.This result indicated that the C22 structure is stable with pH 6.This research may provide a theoretic foundation for the new type HIV-1 peptide inhibitor designing and spectral characteristics study.
		2008 Vol. 28 (08): 1862-1865 [Abstract] ( 1956 ) PDF (1568 KB) ( 624 )

	1866	The Functional Mechanism between the Pesticide Pyrimorph and Humic Acid
		HUANG Jin-li,XIAO Yu-mei,LIU Ji-ping, FU Bin,WU Yan-hua,REN Wen-hua,LI Nan^,QIN Zhao-hai^
		DOI: 10.3964/j.issn.1000-0593.2008.08.034
		In the present experiment, we mainly discussed the function mechanism between the humic acid and a new kind of fungicide Pyrimorph，aiming to play a positive role in the reduction of contamination caused by pesticides on environment.After the disposition step by step, the humic acid was separated into three parts.Then IR and fluorescence analytical methods were employed to explain the functional mechanism between the pesticide and each part of humic acid.As a result, there are extensive interactions between the three parts of the humic acid and the fungicide Pyrimorph.The interactions between fulvic acid and Pyrimorph are mainly the H-bond and the transfer of the electric charge caused by the C=O of the Pyrimorph and the —OH of the fulvic acid, and the interaction between matomeilon and Pyrimorph is mainly the transfer of the electric charge, and the interaction between humin and Pyrimorph is the weakest.It was showed that the fulvic acid is the most active part in the humic acid.That’s to say the intensity of the interaction between the three parts of the humic acid and the fungicide Pyrimorph is smaller and smaller with the order of molecular weight from small to big, namely fulvic acid, matomeilon acid and humin.
		2008 Vol. 28 (08): 1866-1869 [Abstract] ( 1894 ) PDF (1510 KB) ( 804 )

	1870	Investigation of Quantitative Detection of Water Quality Using Spectral Fluorescence Signature
		HE Jun-hua¹,CHENG Yong-jin^1*,HAN Yan-ling¹,ZHANG Hao¹,YANG Tao²
		DOI: 10.3964/j.issn.1000-0593.2008.08.023
		A method of spectral analysis, which can simultaneously detect dissolved organic matter (DOM) and chlorophyll a (Chl-a) in natural water, was developed in the present paper with the intention of monitoring water quality fast and quantitatively.Firstly, the total luminescence spectra (TLS) of water sample from East Lake in Wuhan city were measured by the use of laser (532 nm) induced fluorescence (LIF).There were obvious peaks of relative intensity at the wavelength value of 580, 651 and 687 nm in the TLS of the sample, which correspond respectively to spectra of DOM, and the Raman scattering of water and Chl-a in the water.Then the spectral fluorescence signature (SFS) technique was adopted to analyze and distinguish spectral characteristics of DOM and Chl-a in natural water.The calibration curves and function expressions, which indicate the relation between the normalized fluorescence intensities of DOM and Chl-a in water and their concentrations, were obtained respectively under the condition of low concentration(<40 mg·L^-1)by using normalization of Raman scattering spectrum of water.The curves have a high linearity.When the concentration of the solution with humic acid is large (>40 mg·L^-1), the Raman scattering signal is totally absorbed by the molecules of humic acid being on the ground state, so the normalization technique can not be adopted.However the function expression between the concentration of the solution with humic acid and its relative fluorescence peak intensity can be acquired directly with the aid of experiment of fluorescence spectrum.It is concluded that although the expression is non-linearity as a whole, there is a excellent linear relation between the fluorescence intensity and concentration of DOM when the concentration is less than 200 mg·L^-1.The method of measurement based on spectral fluorescence signature technique and the calibration curves gained will have prospects of broad application.It can recognize fast what pollutants are and detect quantitatively their contents in water.It is realizable to monitor the quality of natural water with real time, dynamics and inlarge area.
		2008 Vol. 28 (08): 1870-1874 [Abstract] ( 2715 ) PDF (1417 KB) ( 1205 )

	1875	Study on Ratiometric Determination of Peroxynitrite and Its Scavenger Based on Synchronous Fluorescence Spectroscopy
		DU Jun-ou,GUO Xiang-qun^*
		DOI: 10.3964/j.issn.1000-0593.2008.08.040
		A ratiometric fluorimetry is proposed for the determination of peroxynitrite (ONOO^-) and the evaluation of its scavenger based on synchronous fluorescence spectroscopy.L-tyrosine, an intrinsic fluorescent aminoacid, reacts with peroxynitrite and carbon dioxide, yielding a highly fluorescent dimer of tyrosine in pH 8.5 PBS buffer solution.By synchronous fluorescence scanning, both monomer and dimer emission bands of L-tyrosine appeared at 364 and 406 nm，respectively.The ratio of F₄₀₆/F₃₆₄ is quantitatively related to the concentration of peroxynitrite, where F₄₀₆ represents the intensity of synchronous emission band of dimer and F₃₆₄ represents that of monomer.The method has been showing merit of being insensitive to the changes in experimental parameters and offers a higher sensitivity and a broader responding linear range of the analyte concentration, compared to fluorimetric method, giving a LOD of 1.84×10^－8 mol·L^-1 and a linear range of 1.60×10^－7 mol·L^-1- 6.00×10^－6 mol·L^-1 for ONOO^-, respectively, with a deviation of 2.4％ for 1.00×10^－6 mol·L^-1 ONOO^-(n=8).A IC₅₀ of 0.065 μg·mL^-1 for mitoxantrone，an antioxidant and anticancer drug，was also obtained.This method has proved to be simple and speedy.It would be easily used in the determination of ONOO^- and its scavenger.
		2008 Vol. 28 (08): 1875-1878 [Abstract] ( 2178 ) PDF (1381 KB) ( 1046 )

	1879	Identification of Protoporphyrin IX Fluorescence Spectrum in Human Blood Serum by Biorthogonal Spline Wavelet
		ZHU Dian-ming^1,2,JIN Wan-xiang¹,LUO Xiao-sen²,LIU Ying²,SHEN Zhong-hua²,LU Jian²,NI Xiao-wu^2*
		DOI: 10.3964/j.issn.1000-0593.2008.08.007
		For the low content and weak fluorescence intensity, usually presenting shoulder peaks, it is often hard to locate protoporphyrin IX and identify its fluorescence intensity in human blood serum.Biorthogonal spline wavelet may work for the identification of its weak signal.Superimposing protoporphyrin IX fluorescence signal on the background of blood serum spectrum, a series of varied fluorescence spectra of them can be obtained.The protoporphyrin IX fluorescence signal from blood serum background is separated and the fluorescence spectrum can be divided into corresponding discrete approximate signals (a₁-a₇) and discrete details signals (d₁-d₇) by biorthogonal spline wavelet bior 5.5 seven levels decomposition.The signal frequency shows a gradual decrease with increasing decomposition.Protoporphyrin IX fluorescence peak emerges when it comes to the 7th decomposition.The signal peak shifts about 2.5 mm downwards as the signal intensity decreases, whereas the signal peak from wavelet filter remains where it was.As the synchronization disappears between signal intensity and signal peak, usually it is hard to assure the fluorescence intensity and peak location.However, signal from wavelet filter may ignore the affect and identify the protoporphyrin IX in human blood serum with the help of biorthogonal spline wavelet.As the linear alternation of wavelet and discrete details signals maintain their inborn linear relations, the authors can carry out the qualitative and quantitative analysis for the precise content and quantity of protoporphyrin IX in blood serum, which provides a feasible method for the application of blood serum fluorescence spectrum to tumor early diagnosis.
		2008 Vol. 28 (08): 1879-1882 [Abstract] ( 2203 ) PDF (1589 KB) ( 967 )

	1883	Synthesis, Characterization and Photoluminescence Properties of (Eu_xRE_1-x)(β-NTA)₃Phen Complexes
		WANG Lian-meng¹,ZHAO Yong-liang^1,2*,ZHANG Mei¹,GAO De-qing³
		DOI: 10.3964/j.issn.1000-0593.2008.08.029
		Two series of solid complexes of Eu_xRE_1-x(β-NTA)₃phen(RE=Y³⁺ and Tb³⁺, x=0.10, 0.30, 0.50, 0.70, 0.90) were synthesized in alcohol.They were characterized by elemental analysis, IR spectra, molar conductivity, ¹H NMR spectra and TG-DTA.The molar conductivity indicated that all the complexes were nonelectrolyte；and ¹H NMR spectra and IR spectra showed that the ligand coordinates(double-tooth) with RE³⁺ ions through the oxygen negative ion of enolic form of β-NTA and the two nitrogen atoms of phen.The fluorescence properties of these complexes were studied, the results indicated that the chemical bonds have formed by the rare earth ions with the two ligands energy can be transferred from the ligand to the RE³⁺, and the excited spectra was very wide showing that energy transfer was efficient, the fluorescence emission intensity of ^５D_０→^７F_２ transitions in the strongest according to the emission spectra of the complexes.So the authors choose this energy transition as the research object and the results showed that the emission intensity of Eu³⁺ ion can be enhanced if a part of Eu³⁺ ions were substituted by Y³⁺ or Tb³⁺ ions.But the concentration of the Y³⁺ or Tb³⁺ ions can influence the fluorescence emission intensity of the rare earth complexes.The authors changed the concentration of Y³⁺ and Tb³⁺ in order to find the proper proportion.Finally the authors found that if the x<0.3 for the complexes Eu_xY_1－x (β-NTA)₃ phen can get higher fluorescence intensity than pure Eu³⁺ system, but compared with the concentration of Y³⁺, the proportion of Tb³⁺ is different.The result showed that if x<0.5 the authors can get higher fluorescence intensity.In all, at a proper proportion of the doping ions (Y³⁺ or Tb³⁺) the authors can get higher fluorescence intensity.This doping method not only decreases the cost of materials, but also enhances the fluorescence intensity, so it has a bright future in practical application.
		2008 Vol. 28 (08): 1883-1886 [Abstract] ( 334 ) PDF (1211 KB) ( 885 )

	1887	Study on Determination of Bovine Serum Albumin Using o-Hydroxyphenylfluorone Reagent with Fluorescence Spectrophotometry
		HUANG Ying-ping¹,GU Yan²,FANG Yan-fen¹,LIU Yu-liang¹,ZHU Sheng-ji¹,LOU Guang-fu¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.013
		The reaction conditions for the determination of bovine serum albumin (BSA) using o-hydroxyphenylfluorone (o-HPF) as fluorescence probe reagent were studied.In the B-R medium at pH 7.90, o-HPF could react with BSA, producing a stable complex compound which resulted in fluorescent quenching of this binary system.The quantitative assay was carried out based on the relation between the degree of fluorescent quenching and the additional amount of BSA.The method has advantages of good selectivity, stability and simplicity.The linear range of o-HPF fluorescence spectrophotometric method was 1.32-18.54 μg· mL-1.Moreover, the mechanism of the reaction BSA and o-HPF was discussed, and the quenching constant, and the thermodynamics constant of the fluorescence effects were calculated.The results showed that the nonconvalent binding forces were the binding force between o-HPF and BSA, and the quenching of BSA to o-HPF was probably a single static quenching process.
		2008 Vol. 28 (08): 1887-1890 [Abstract] ( 1816 ) PDF (1238 KB) ( 787 )

	1891	Fluorescence Spectra Analysis of the Scrophularia Soup
		YAN Li-hua¹,SONG Feng^1*,HAN Juan²,SU Jing¹,QU Fei-fei¹,SONG Yi-zhan¹,HU Bo-lin¹,TIAN Jian-guo¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.030
		The cold-water and boiled-water soaked scrophularia soups have been prepared.The emission and excitation spectra of each scrophularia soup under different conditions have been measured at room temperature.The pH values of the different scrophularia soups have been also detected.There are obvious differences between the cold-water soaked scrophularia soup and the boiled-water soaked scrophularia.For both soups the emission wavelength increases with the wavelength of the excitation, but the peaks of the emission spectra for cold-water and boiled-water soaked scrophularia soup are different, which are 441 and 532 nm, respectively.Excitation spectrum has double peaks in the cold-water soaked scrophularia soup while only one peak with longer wavelength in the boiled-water soaked one.The pH value changes from 5.5 to 4.1.According to the organic admixture fluorescence mechanism we analyzed the reasons of the experimental results.Through heating, the interaction in different fluorescence molecular and the energy transfer process in the same fluorescence molecular become more active, and the conjugate structures and the generation of hydrogen bonds increase.The fluorescence measurement is of value for the scrophularia pharmacology analysis and provides an analytical method for the quality identification of scrophularia soup.
		2008 Vol. 28 (08): 1891-1894 [Abstract] ( 1916 ) PDF (1289 KB) ( 734 )

	1895	Separation and Purification and Structural Characterization of Baicalein
		LI Yun-xia²,SUO Quan-ling^1*,HE Wen-zhi¹,LI Chun-ping¹,HUANG Yan-chun²
		DOI: 10.3964/j.issn.1000-0593.2008.08.025
		The root of scutellaria baicalensis georgi that contains a variety of flavonoids is a very old and well-known drug in traditional Chinese medicine, which is widely used for treatment of bronchitis, tumors and inflammatory diseases.The baicalein is the main active component from traditional Chinese medicine-scutellaria baicalensis georgi.It is a very significance research work that the baicalein was separated and purified, and its composition and molecular structure are analyzed and determined for the pharmacology study of Chinese medicine-scutellaria baicalensis georgi.The main works in this paper are as follows.Powdered roots (100 g) were extracted with methanol by three times, each time for 48 hours.The crude extracts were purified by poly-amide column chromatography and CH₃Cl-C₂H₅OH gradient desorption.A short yellow prismatic crystal was acquired by re-crystallizing technique and its composition and molecular structure were characterized by color reactions and spectral analysis methods as FTIR, UV-Vis, MS and ¹H NMR, ¹³C-NMR.The FTIR spectrum appears the absorption bands for hydroxyls, pyrone carbonyl, aromatic C=C bond and singly substituted phenyl.The characteristic absorption peaks and the vibration modes in FTIR spectrum were identified as corresponding groups.The UV-Vis spectrum in methanol solution and the mix solution of methanol with 5 diagnostic reagents, NaOMe, NaOAc, NaOAc/H₃BO₃, AlCl₃, AlCl₃/HCl, respectively indicate that the yellow prismatic crystal is flavone with 5-hydroxyl, 4-carbonyl and 5,6,7- or 5,7,8-trihydroxyls on ring A.The structure of the crystal was characterized by three different MS.The results of FAB-, ESI- and EI-MS show that it is not a flavone glocuside but the flavone with three phenyl hydroxyls on ring A, and no OH group and other substituted groups on ring B.The molecular ion and fragment ions are identified by MS, which include such as m/z 270 M⁺, m/z 242 [M-CO]⁺, m/z 168 A, m/z 140 [A₁-CO]⁺, m/z 105 B, m/z 102 B, m/z 77 [B₂-CO]⁺, respectively.¹³C-NMR(DMSO-d6)exhibits the signals of the fifteen carbon atoms, nine oxygenous aromatic C, five non-oxygenous aromatic C and a carbonyl C.1H-NMR(DMSO-d6+D₂O，DMSO-d₆)indicates the presence of C-5, C-6, C-7 hydroxyl protons, which is consistent with the results of UV spectrum.The signals for C-2′,6′ hydroxyls appear at δ=8.055 as a doublet peak with spin-spin coupling constant 6.0 Hz.The other signals were ascribed to the corresponding H or C atoms in the compound.The results of FTIR, UV-Vis, MS, ¹H NMR, ¹³C-NMR spectroscopy characterization show that crystal is the 5,6,7-trihydroxy-flavone, that is baicalein, and the molecular formula is C₁₅H₁₀O₅.
		2008 Vol. 28 (08): 1895-1899 [Abstract] ( 491 ) PDF (1410 KB) ( 973 )

	1900	Degradation of Methyl Orange Solution by Microwave-Assisted Catalysis of H₂O₂ with Chromium Residue
		LIU Zuo-hua^1,2,LIU Ren-long¹,MU Tian-ming³,ZUO Zhao-hong¹,TAO Chang-yuan¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.008
		Heavy metal such as chromate compounds, together with unspent azo dyestuff, in effluent forms composite pollutants.The composite wastewater is persistent in color and nonbiodegradable.COD removal ratio and decolorization ratio of methyl orange solution were investigated by microwave -induced catalysis of H₂O₂ with chromium residue.Factors governing the degradation of methyl orange were experimentally studied including microwave power, microwave irradiation time, pH value, amount of chromium residue, and concentrations of H₂O₂ and methyl orange solution.Results indicated that some transition metal ions might be taken as catalysts for the purification of persistent organic pollutants in organic-heavy metal wastewater treatment, which can reduce the consumption of chemicals and lower the cost of wastewater purification.Chromium ions in residue and H₂O₂ could form Fenton-like reagent and produce hydroxyl to mineralize methyl orange.Microwave heating has both thermal and non-thermal effects, and can promote the mineralization rate of organic pollutants.Microwave can also enhance the utilization efficiency of H₂O₂ in the catalysis process and reduce the dosage of oxidant.The acidity is favorable for generation of hydroxyl for Fenton-like reagent.Employing chromate residue as catalyst in Fenton-like process, the decolorization ratio and COD removal ratio of aqueous MO at 1 000 mg·L^-1 were 88% and 85%, respectively, under the following conditions：microwave frequency 2 450 MHz, microwave power 700 W, microwave irradiation time 3 min, pH 3 and molar ratio of chromium to hydrogen peroxide 1∶56.8.
		2008 Vol. 28 (08): 1900-1904 [Abstract] ( 2170 ) PDF (1600 KB) ( 627 )

	1905	Research on the Interactions between Genistein and Its Glucosides with DNA
		LI Hua¹,YU Yan-ying^1*,HU Xin¹,CAO Shu-wen^1,2
		DOI: 10.3964/j.issn.1000-0593.2008.08.045
		The interactions of genistein(GEN), genistein glucoside(GENG) and genistein 7,4’-di-O-β- D- glucoside(GEND) with calf thymus DNA(ctDNA) in Tris (pH 7.2) buffer were investigated by UV spectra, fluorescence spectra and viscosity.From the absorption titration experiments, no obvious red shifts were found, but the notable hypochromicities were observed.The π→π^* transitions of GEN at 262 nm showed a 10% decrease in intensity at [GEN]/[DNA]=2, and for the GENG and GEND, the decreases were 24.8% and 18% at 260 and 258 nm, respectively.These results indicated that there were intercalations between these compounds and ctDNA, involving a strong π-stacking interacting.The hypochromism of the two glucosides was bigger than that of GEN, which suggested that the two glucosides intercalated deeply into the DNA base pairs.The emission intensity of DNA-EB system at 600 nm decreased remarkably with increasing the three compounds, indicating that these compounds could intercalate into DNA and replace EB from the DNA-EB system.And at 25 and 37 ℃, the fluorescence quenching curves of these compounds with DNA-EB system were not linear curves.According to the classical Stern-Volmer equation, it was not single static or dynamic quenching model, so there would be hydrogen bonding besides intercalation.Viscosity experiments were carried out by an Ubbelodhe viscometer at (20.0±0.1)℃.The relative viscosity of ctDNA increased steadily with increasing these compounds.The results clearly showed that these compounds could intercalate between DNA base pairs, causing an extension of the helix, and thus increased the viscosity of DNA.And because of the greatest increase in viscosity of the DNA, the interaction of GENG with DNA was the strongest, followed by GEND, and then GEN.The results were consistent with the above spectral results.These results suggested that genistein and its glucosides could bind to ctDNA partly by intercalation and hydrogen bonding mode, and the binding ability to ctDNA followed the order of GENG>GEND>GEN from which, the authors speculated that 7 or 4’-O-glycosylation modification maybe an effective way to improve medicinal activity of genistein, and its glucoside modified derivatives may be a promising candidate for anticancer drug, which deserves further research.
		2008 Vol. 28 (08): 1905-1909 [Abstract] ( 1426 ) PDF (1498 KB) ( 618 )

	1910	Study on the Recognition between Alpinetin and Calf Thymus DNA
		ZHANG Guo-wen,QUE Qing-min,PAN Jun-hui
		DOI: 10.3964/j.issn.1000-0593.2008.08.011
		The recognition between alpinetin and DNA under physiological condition (pH 7.4) was investigated by fluorescence and UV-visible spectrometry.The experiment demonstrated that the fluorescence of alpinetin could be quenched by DNA.A quenching mechanism was proved to be the single static quenching procedure according to the deescalating quenching constants K_SV (3.288×10³, 2.923×10³ and 2.467×10³ L·mol^-1, respectively) along with the escalating temperatures (25, 32 and 39 ℃) and the quenching rate constant K_q was greater than the maximum scatter collision quenching rate constant of various quenchers with the biomolecule.From the UV-visible spectra of alpinetin and DNA, the result showed that the UV-visible spectra of alpinetin did not changed in the presence of DNA, i.e.neither the decrease in the maximum absorbance intensity nor the red shift of the maximum absorption wavelength changed.Both the fluorescence intensity and the maximum emission wavelength of ethidium bromide-DNA system remained unchanged in the presence of alpinetin, indicating that there is no direct competition for binding DNA between alpinetin and ethidium bromide.Furthermore, DNA thermal denaturation test indicated that the fluorescence quenching effect of alpinetin with unlinking DNA was stronger than that of alpinetin with natural DNA.It was concluded that there was not intercalation binding mode between alpinetin and DNA.At the same time, fluorescence quenching effect and salt effect on the binding of alpinetin with DNA were investigated.It was shown that the major mode of recognition was groove binding between alpinetin and DNA.
		2008 Vol. 28 (08): 1910-1913 [Abstract] ( 1898 ) PDF (4914 KB) ( 747 )

	1914	Investigation of JinKui ShenQi Pills by Ultraviolet Spectra and Tandem Mass Spectrometry
		LI Wen-lan^1,2,SUN Zhi¹,CHENG Bin¹,JI Yu-bin¹,BAI Jing¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.010
		On the base of establishing the fingerprint of JinKui ShenQi pills, the ultraviolet spectra-mass spectrometry/mass spectrometry, method was used to identify the fingerprint.Seperation was performed on the Symmetry Shield^TM RP₁₈ (5 μm, 4.6 mm×15 mm) analytical column with mobile phase consisting of 1% acetic acid and acetonitrile with gradient elute at the flow rate of 1.0 mL·min^-1, and the ultraviolet detection wavelength was set at 248 nm.Using the above-mentioned chromatographic condition，the fingerprint of different samples was established and the same fingerprint was defined.The fingerprints of different samples were compared with similarity evaluation software published by Pharmacopeia committee codex (2004A).The mass spectrograph with API-ESI ionization source was used, setting the flow rate at 0.5 mL·min^-1 after splitting stream.The pressure of atomization room was 50 Psi, the flow rate of dry gas was 9.0 L·min^-1, the capillary voltage was 4 kV, and the transmission voltage was 70 V.The negative scanner mode was chosen, scan scope was 100-2 000, using ion trap to analyze quasi-molecular ion peak and the selected fragment ion, and TIC chromatography and second order mass chromatogram were recorded.The major constituents among in JinKui ShenQi pills from different origins were separated well by HPLC.Although there was difference among different origins, they showed nineteen identical characteristic absorption bands.Three fingerprints chemical compositions such as loganin, cinnamal and paeonol were identified based on the retention time and ultraviolet spectra of standard preparation.According to their ultraviolet spectra, molecularweight and fragmentation information, ten peaks in the fingerprint were identified by ultraviolet spectroscopy-mass, spectrometry/massg spectrometry.They are 1,2,3-tri-O-galloyl-glucose, loganin, paeoniflorin, 1,2,3,6-tetro-O-galloyl-glucose, soya-cerebroside, cornuside, and PGG, benzoyl-oxypaeoniflorin.The result showed that the presented fingerprint of JinKui ShenQi pills contained plenty of information quite valuable for the quality evaluation as well as chemical characterization of JinKui ShenQi pills.
		2008 Vol. 28 (08): 1914-1918 [Abstract] ( 2378 ) PDF (1147 KB) ( 784 )

	1919	Single Particle Measurement of Suspended Soil Dust Using Laser Desorption/Ionization Time-of-Flight Mass Spectrometry
		GUO Xiao-yong,ZHAO Wen-wu,LIN Ying,GU Xue-jun,ZHENG Hai-yang,FANG Li,ZHANG Wei-jun
		DOI: 10.3964/j.issn.1000-0593.2008.08.046
		Real-time measurement of size and composition of single soil dust particles using an aerosol time-of-flight laser mass spectrometry (ATOFLMS) was designed in our lab.Each particle’s aerodynamic diameter was determined by measuring the delay time between two continuous-wave lasers, a Nd∶YAG laser with a 266 nm pulsed output was used to desorb and ionize aerosol particles, and ions formed in the laser desorption/ionization process were accelerated into the time-of-flight drift region where they separated by mass-to-charge ratio, Then the composition of single particle was obtained.In the present paper, soil samples were collected from four different areas in China.After the pretreatment and suspension, the particle sample was then transferred to ATOFLMS through a plastic transfer line.During the campaign, a large number of size and mass spectra of single particles were obtained.The presence of crustal elements was observed in the mass spectra of individual particles.Iron, potassium, aluminum and calcium constitute the two most commonly detected cations.Other common cations observed in the mass spectra of soil particles include magnesium, and sodium.The detection results exhibit that the coarse particles with size of 1-2 μm are dominate in the detected particles.Experimental results show the ATOFLMS have important practical value for researching and monitoring of atmospheric aerosol environment.
		2008 Vol. 28 (08): 1919-1922 [Abstract] ( 768 ) PDF (1335 KB) ( 1080 )

	1923	Enhancing Effect of Magnetizing Solution Sample on Inductively Coupled Plasma Atomic Emission Spectrum
		CHEN Jin-zhong,ZHOU Yong-li,GUO Qing-lin,HUAI Su-fang,WEI Yan-hong
		DOI: 10.3964/j.issn.1000-0593.2008.08.012
		In the present paper, the physics property and nebulization character of the sample solution as well as elemental spectrum intensity were investigated with the prolonging of magnetization time after the water solution with the ethanol was magnetized under magnetic field of 0.24T.The magnetization mechanism was discussed.The experiment result shows that the efficient age-rate of the analyzed sample is increased.The peak values of the spectrum intensity appear when the ethanol is added into the sample.Under the magnetization time of 2 hours, the spectrum intensities of Zn, Pb, Cd, Fe, Si, Cu, Cr and Sr in the sample solution without the ethanol were increased by 22.9%, 38.8%, 25.6%, 48.3%, 52.4%, 6.0%, 22.3% and 22.7% than that with the non-magnetic water, respectively；The signal intensities of the elements in the sample solution with the ethanol of 6% were increased by 22.4%, 42.6%, 39.4%, 72.4%, 43.9%, 9.7%, 16.1% and 17.1% than that with the non-magnetic water, respectively.The detection limit of spectral analysis was reduced when the magnetized sample solution was analyzed.
		2008 Vol. 28 (08): 1923-1927 [Abstract] ( 1478 ) PDF (1788 KB) ( 942 )

	1928	Content of Trace Elements and Heavy Metals in Chinese Winter Jujube Fruit
		RUI Yu-kui¹,SHEN Lin²,SHENG Ji-ping^2*
		DOI: 10.3964/j.issn.1000-0593.2008.08.009
		Today researchers pay more and more attention to the content of trace elements and heavy metals in food.Contents of trace elements and heavy metals in Chinese winter jujube fruit were analyzed by ICP-MS，the results showed that winter Chinese jujube contained plentiful trace elements, especially Ca(126.67 μg·g-1·FW), Mg(68.04 μg·g^-1·FW), Sr(1 691.39 ng·g^-1·FW), Zn(787.26 ng·g^-1·FW), Fe(512.84 ng·g^-1·FW), Mn(495.42 ng·g^-1·FW) and Mo(33.38 ng·g^-1·FW), which is necessary for human health and can prolong the human life.But Chinese winter jujube contains little heavy metals and accords with relative national standard.
		2008 Vol. 28 (08): 1928-1930 [Abstract] ( 708 ) PDF (924 KB) ( 1111 )

	1931	Application of ICP-MS to Detect Rare Elements in Wild Cistanche Deserticola Y.C.Ma
		JIAO Chuan-zhen¹,WEI Zhen-lin¹,TIAN Zhi-huan¹,QU Gui-qin²,RUI Yu-kui^3*
		DOI: 10.3964/j.issn.1000-0593.2008.08.014
		Rare metals are important nutritional elements for human health.Fifteen rare metals in wild Cistanche deserticola Y.C.Ma were analyzed by the methods of ICP-MS.The results showed that concentrations of La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb and Lu in Wild Cistanche deserticola Y.C.Ma were 144.89, 259.75, 36.41, 133.25, 25.38, 6.10, 30.20, 3.85, 20.36, 3.42, 8.55, 6.42, 1.15, 20.02 and 29.77 ng·g^-1 respectively, the character of elements and the content of rare earth elements in soil should be responsible for the difference, but the mechanism of distribution should be further studied.
		2008 Vol. 28 (08): 1931-1932 [Abstract] ( 1602 ) PDF (907 KB) ( 744 )

	1933	Study of the Elements Determination Method in Animal Fur by Microwave Digestion ICP-AES
		HOU Tian-ping^1,2,3,WANG Song-jun^2*,CAO Lin³,CHANG Ping⁴,HOU Yue⁵
		DOI: 10.3964/j.issn.1000-0593.2008.08.017
		Considering the complex matrix of the sample，the animal fur is carried on to the sample pretreatment method studies specially.The microwave closed system has its unique merit：The microwave radiation has the very strong penetrability and the rapid in-depth heating function.After absorbing microwave the sample and the molecules of reactant may carry on the reaction in short time.But the microwave power is very weak，reaction consumes much time，the resolution is also incomplete.Besides the output excessively is high dispels in the pot the reagent differential pressure to increase the test solution to produce the storm rapidly to boil.As a result of those flaws，the minute step microwave heating digestion method is used to digest test specimen after treated by the acid pickling over night.In the experiment，the specialized microwave reactor is replaced by civil microwave；the microwave heating technology is adopted.According to the different characteristics of reagents，different allocated proportion and the test solution volume of nitric acid，hydrogen peroxide，hydrochloric acid and the water are tested separately.Meanwhile，in order to optimize the experimental condition，the different response power and respond time is also studied.At last，the experimental condition is determined：HNO₃-H₂O₂-HCl-H₂O acid system is chose(four reagent allocated proportions are 8∶1∶1∶5)；test specimen is heated up 10 minutes when the output is 150 W and 5 minutes when the output is 360 W continuously；carries on the test specimen airtight resolution processing animal fur by the sample.To guarantee the standard solution system is consistent with the biological sample substrate，the artificial simulation biology sample substrate is used to match law configuration standard solution；the ration the substrate element calcium is added.To eliminate disturbance of the sample complex substrate，the substrate match law，which reduces the substrate element disturbance is used.Inductive coupling plasma atom emission spectral analysis technology is also adopted in the experiment.This method has several advantages：the rapidity of the examination，the scope width of the examination，low consumption of test specimens and low limitation of picking out.This method is able to simultaneously examine the aluminum，the iron，the calcium，the magnesium，the boron，the barium，the cadmium，the cobalt，the copper，the chromium，the manganese，the molybdenum，the nickel， the phosphorus，the lead，the strontium，the zinc，the titanium，18 kind of constants and trace element existed in the animal fur.There kinds of animal furs were examined.Basically，the constants of calcium were close.The content of magnesium and strontium in the furs of the herbivorous were higher than the omnivorous and the carnivorous，while the content of phosphorus in the furs of the herbivorous was lower than the other tow，so did the trace element，namely aluminum，iron，copper，zinc.It was obvious that only in the fur of the carnivorous was the content trace element titanium included.Based on the examination result，we could draw the conclusion that contain connection，which may explain the intrinsic and the external relationship concerning the animal， exists between the animal habit and the element content in their body.This method sends the standard material GBW07601 confirmation after the national person，obtains the method relative error in between 0.83%-9.59%，the relatively standard deviation between 0.81%-5.20%.The limitation of picking out，the accuracy and the accuracy each examination target is obtained in the animal fur by the actual sample analysis in the confirmation，which can satisfy the biological sample examination request.
		2008 Vol. 28 (08): 1933-1937 [Abstract] ( 2076 ) PDF (1016 KB) ( 749 )

	1938	Analysis of Trace Elements and Macro Elements in 13 Anti-Anoxic Traditional Tibetan Medicine
		WU Qi-xun¹,JI Lan¹,KU Jin-liang²,SONG Ping¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.015
		Thirteen kinds of anti-anoxic Tibetan traditional medicine including Hongjingtianjiaonang, Anshensan, Wuweishiliusan, Zhangsongbaweichenxiangsan, Shiliuweidujuansan, Ershiwuweiyuganziwan, Ershiwuweizhuhuangjiaonang, Shiwuweilongdanwan, Mijueqingliangsan, Qishiweizhenzhuwan, Bawei-chenxiangsan, Liuweidingxiangsan and Qiweiputansan were digested with HNO₃-HClO₄ mixed acid.Fourteen trace elements and macro elements in the 13 kinds of anti-anoxic Tibetan traditional medicine, such as silver, aluminium, cadmium, cobalt, chromium, copper, ferrum, hydrargyrum, magnesium, manganese, nickel, lead, stannum and zinc were determined by flame atomic absorption spectrophotometry (FAAS).The results showed that there were comparatively rich trace elements and macro elements in kinds of anti-anoxic Tibetan traditional Medicine.The 13 Anti-anoxic Tibetan traditional medicine contains higher amount of ferrum, magnesium, copper, chromium, zinc and manganese than other elements.This provided useful data for discussing the relationship between trace elements and macro elements and anti-anoxic activities in Tibetan traditional medicine.
		2008 Vol. 28 (08): 1938-1941 [Abstract] ( 1799 ) PDF (996 KB) ( 724 )

	1942	Progress in Nuclear Magnetic Resonance Spectroscopy for Early Cancer Diagnosis
		GAO Xiu-xiang¹,XU Yi-zhuang^1*,ZHAO Mei-xian²,QI Jian¹,LI Hui-zhen¹,WU Jin-guang¹
		DOI: 10.3964/j.issn.1000-0593.2008.08.016
		Based on more than 100 references, the present paper reviews the progress in the application of nuclear magnetic resonance (NMR) spectroscopy，an effective method to study the variation in chemical composition and molecular structure in biological samples for early diagnosis of cancer at molecular level.In the past several decades, numerous works have demonstrated that NMR spectroscopy may be developed into a sensitive diagnosis method to detect cancer in early stage.Because of the rapid development of NMR spectroscopic techniques，it becomes possible to record NMR spectra of biological samples in both in-vitro and in-vivo manner.Systematic spectral differences between biological samples from cancer patients and normal controls can be observed from both liquid-state and solid-state ¹H, ³¹P NMR spectra and used to reflect the changes in metabolic behavior of malignant tissues.This paper has summarized NMR spectroscopic investigation on biological fluid, cultured cancerous cells, resected tissues, as well as in-vivo malignant tissues by using various advanced NMR techniques including recently developed high-resolution magic angle spinning (HR-MAS)and magnetic resonance spectroscopy and imaging (MRSI) methods.First, characteristic peaks, which are related to choline, phosphocholine (PC) and glycerophosphocholine, can be observed in both ¹H and ³¹P NMR spectra of biological fluid samples from cancer patients.These results indicate that alternation in the metabolic pattern occurs with the progression of cancer.The research on cultured cells by using NMR spectroscopy showed that the signal of various phospholipids and their metabolites such as PME increased significantly in cultured cancer cells.For resected tissues, two methods can be utilized.The first one is to investigate the tissues directly by using HR-MAS spectroscopy.The second method is to extract various metabolites with various solvents such as CHCl₃/methonal mixtures, HClO₄ solutions, etc.and then analysis of the extracted solutions is performed using conventional liquid NMR spectroscopy.Significant differences on the content of various amino acids, metabolites of phospholipids, can be observed between malignant tissues and normal controls in NMR spectra.Recently, MRSI that can acquire ¹H-NMR spectra of suspected tissues during the process of MRI diagnosis is available.The approach makes it possible for the surgeons to judge whether the suspected tissues are malignant or not before surgical operation.The above results demonstrate that NMR spectroscopy possesses bright perspective in diagnosing cancers and differentiating different types of cancers based on the metabolic behavior of cancerous tissues.
		2008 Vol. 28 (08): 1942-1950 [Abstract] ( 2167 ) PDF (1017 KB) ( 1040 )

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