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2008 Vol. 28, No. 10 Published: 2008-10-26

光谱学与光谱分析

	2209	Investigation of the Characteristics of the Stagger Electrodes Dielectric Barrier Discharge Plasmas in Chord-Wise Direction
		LI Gang¹,LI Hang-ming^2,3,MU Ke-jin¹,ZHANG Yi²,NIE Chao-qun¹,ZHU Jun-qiang¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2209-05
		The aerodynamic plasma actuator distinguishes itself from others by a set of highly asymmetric electrodes arranged on dielectric. So the plasma produced by the aerodynamic plasma actuator has special characteristics along chord-wise direction. In the present paper the characteristic of the stagger electrodes dielectric barrier discharge plasmas in chord-wise direction was investigated experimentally through spectrometer, infrared imager and laser induced fluorescence system. The mechanisms behind plasma flow control were discussed briefly based on these experimental results. It was found in the experiments that the distributions of light intensity and temperature in chord-wise direction accord with Gaussian distribution. Light intensity and temperature were enhanced by increasing supplied voltage. NO produced by DBD discharge was detected directly by the LIF system. Through numerical simulations, the distributions of electric potential and electric field near the electrodes were determined and the phenomena observed in experiments were explained. Based on these experimental results, the mechanisms behind plasma flow control were ascertained to be the consequence of collisions, temperature increasing and chemical reactions.
		2008 Vol. 28 (10): 2209-2213 [Abstract] ( 1087 ) PDF (1579 KB) ( 604 )

	2214	Study on Determination of Plume Velocity by Passive Differential Optical Absorption Spectroscopy
		LI Ang, XIE Pin-hua, LIU Wen-qing, LIU Jian-guo, DOU Ke, LIN Yi-hui
		DOI: 10.3964/j.issn.1000-0593(2008)10-2214-04
		Differential optical absorption spectroscopy (DOAS) technique has been used to measure various trace gases in the atmosphere by their strongly structured absorption of radiation in the UV and visible spectral range. Passive DOAS using the zenith scattered sunlight as the light source can obtain the continuous column density distribution of air pollutants (such as SO₂ and NO₂) by scanning the plume emitted from sources on a mobile platform, then with the plume velocity information the total emission value can be ultimately estimated. In practice it is hard to calculate the total emission because there is no efficient way to accurately get the plume velocity which is the most important parameter. Usually the wind speed near ground is used as the actual plume speed, which constitutes the greatest source of uncertainty in the passive DOAS measurements for the total emission calculation. A passive DOAS method for the determination of plume velocity of pollution source was studied in the present paper. Two passive DOAS systems were placed under the plume along the plume transmission direction to observed the scattered sunlight at one fixed sepasation angle, and then the plume velocity was derived from the time delay resulting from the plume moving a certain distance, and also the plume height needed in the plume velocity calculation was measured by the same two passive DOAS systems. Measurement of the plume emitted from a certain power plant was carried out by the two passive DOAS systems and the plume velocities of 3.6 and 5.4 m·s-1 at two separate moments were derived. The comparison with the wind speed measured at the same time by the single theodolite wind observation method indicates that this optical remote sensing method based on passive DOAS can be used to determine the plume velocity by monitoring the total emission from sources.
		2008 Vol. 28 (10): 2214-2217 [Abstract] ( 945 ) PDF (1306 KB) ( 611 )

	2218	Research on Cluster-Assistant Multiple Ionization of Acetonitrile by Intense Nanosecond Laser
		SHAO Shi-yong^1,4,XIAO Xue²,LI Hai-yang³
		DOI: 10.3964/j.issn.1000-0593(2008)10-2218-06
		To further investigate the relation between cluster and multi-charged ions, the photo-ionization of acetonitrile molecular beam carried by helium was studied by time-of-flight mass spectrometry using 25 ns, 532 nm and 1 064 nm Nd-YAG laser with an intensity of 10¹⁰ W·cm^-2. When the effused beam of CH₃CN at a pressure of about 11 kPa was irradiated by a 532 nm laser, only a few mono-charged ions appeared in the mass spectrum and were clearly resolved, While the pulsed molecular beam seeded in 0.15 MPa He, multi-charged species appeared between H⁺ and C⁺,and parent ions containing one or more acetonitrile molecules were also discovered. The intrinsical difference between effused beam and pulsed one was that for the latter it was easier to generate molecule clusters. Adjusting delay time between laser and pulsed valve to shine the laser on different potions of pulsed beam, the change tendency of integral intensity of different multi-charged ions was found to remain similar to that of acetonitrile cluster, and the highest intensity of different ion species appeared at the same 0.75 ms delay time. When the wavelength of laser was changed from 532 nm to 1 064 nm, the type of ions and their proportion from effused beam were alike except intensity, but the result of pulsed beam altered obviously. Multi- charged ions showed peak splitting, which characters CE(Coulomb explode). As a powerful tool to understand some chemical physics processes involved, correlation analysis of the time of flight mass spectrum was used. The spectrum of 532 nm was selected owing to its multi-charged ions distinguished easily. The correlations among Nⁿ⁺(n=2-5) and Cⁿ⁺(n=2-4) were all above 0.25, with some even above 0.7, indicating that these ions are highly correlated and probably come from the CE events simultaneously. An electron re-scattering and re-colliding ionization model was proposed to explain the appearances of those multiple charged ions under such low laser intensity. From the theory, the longer wavelength facilitates the energy absorption rate during inverse bremsstrahlung, which leads to the resulting wavelength dependence of the multi-charged atomic ions.
		2008 Vol. 28 (10): 2218-2223 [Abstract] ( 526 ) PDF (1302 KB) ( 467 )

	2224	Spectroscopic Study of Atmospheric Pressure Argon DC Microdischarge
		ZHENG Pei-chao,WANG Hong-mei,LI Jian-quan,HAN Hai-yan,XU Guo-hua,SHEN Cheng-yin,CHU Yan-nan^*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2224-04
		Microhollow cathode discharge or microdischarge is an efficient method to generate plasma in a high pressure gas. In the present work, the emission spectra were observed in an atmospheric pressure argon direct current microdischarge apparatus, using a stainless steel capillary as the cathode, and a stainless steel mesh as the anode. It was shown that all of the seventeen argon spectral lines arose from electronically excited argon atom 4p—4s transition in the wavelength range of 690-860 nm. The dependences of emission intensity on the discharge current，gas pressure and argon flow rate were investigated. The experimental results show that the emission intensity increased with discharge current from 1 to 6 mA and argon flow rate from 100 to 700 mL·min^-1. The dependence of emission intensity on gas pressure exhibited different characteristics, i.e. spectral signal increased with the gas pressure, but reached the intensity maximum at 13.3 kPa, and decreased afterwards. The argon atom spectral lines 763.51 and 772.42 nm were chosen to measure the electron excitation temperature by the intensity ratio of two spectral lines. The electron excitation temperature was determined to be in the range of 2 000 to 2 800 K in the atmospheric pressure argon microdischarge. The changes in electron excitation temperature with discharge current, gas pressure and argon flow rate were explored, indicating that the electron excited temperature increased with the discharge current, but decreased when gas flow rate or argon pressure increased.
		2008 Vol. 28 (10): 2224-2227 [Abstract] ( 410 ) PDF (1075 KB) ( 570 )

	2228	The Development of Acetylene On-Line Monitoring Technology Based on Laser Absorption Spectrum
		HE Ying,ZHANG Yu-jun,KAN Rui-feng,XIA Hui,WANG Min,CUI Xiao-juan,CHEN Jiu-ying,CHEN Dong,LIU Wen-qing, LIU Jian-guo
		DOI: 10.3964/j.issn.1000-0593(2008)10-2228-04
		As one of the materials in organic chemical industry, acetylene has been used in many aspects of chemical industry. But acetylene is a very dangerous inflammable and explosive gas, so it needs in-situ monitoring during industrial storage and production. Tunable diode laser absorption spectroscopy (TDLAS) technology has been widely used in atmospheric trace gases detection，because it has a lot of advantageous characteristics，such as high sensitivity, good selectivity, and rapid time response. The distribution characteristics of absorption lines of acetylene in near infrared band were studied, and then the system designing scheme of acetylene on-line monitoring based on near infrared tunable diode laser absorption spectroscopy technology was discussed in detail. Moreover, the system of experiment measurement was set up and the method of signal detection and the algorithm of concentration inversion were studied. In addition, the sample cell with a path length of 10 cm, and the acetylene of different known concentrations were measured. As a result, the detection limit obtained reached 1.46 cm³·m^-3. Finally the dynamic detection experiment was carried out, and the measurement result is stable and reliable, so the design of the system is practicable through experiment analysis. On-line acetylene leakage monitoring system was developed based on the experiment, and it is suitable for giving a leakage alarm of acetylene during its storage, transportation and use.
		2008 Vol. 28 (10): 2228-2231 [Abstract] ( 1563 ) PDF (886 KB) ( 596 )

	2232	Application of Laser Induced Breakdown Spectroscopy(LIBS) to Microdetection of Au Film Machining
		YUAN Dong-qing, ZHOU Ming^*,SHEN Jian, REN Nai-fei, CAI Lan
		DOI: 10.3964/j.issn.1000-0593(2008)10-2232-05
		Film micro-machining is a core in micro- and nano- technology, micro-electro-mechanical systems and photoelectron field. However, it is difficult to control the quality of machining in processing film. In the present paper the authors propose a method to solve this problem by using laser induced breakdown spectroscopy(LIBS). The authors investigated the relation between excitation condition and the quantity of plasma in the process of micro-machining by pulse laser. At low frequency(<20 Hz), when the excitation energy was confirmed, the quantity of plasma was steady and independent of the number of pulses. When the authors used single pulse to excite the film, the quantity of plasma increased with the energy ascension. Based on the quantity of plasma and the species of elements, the authors realized the real-time control of micro-machining become true.
		2008 Vol. 28 (10): 2232-2236 [Abstract] ( 1564 ) PDF (1850 KB) ( 522 )

	2237	Progress in Application of THz -TDS to Protein Study
		MA Xiao-jing^1,3,ZHAO Hong-wei^1*,DAI Bin²,GE Min¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2237-06
		Terahertz time-domain spectroscopy (THz -TDS) is a newly developed terahertz far infrared spectroscopy based on ultra-fast laser technology. Various applications of THz electromagnetic waves have been investigated by researchers in various fields, including life sciences, pharmaceutical, security detection and etc. THz -TDS has been proven a promising technique in biological and medical applications. Absorption spectrum in the THz range provides rich information about structure and weak interactions of molecules. It is expected that the THz waves can be applied to probing the interactions between antibody and antigen, drug and organism. Combining the characteristic of THz -TDS and its physical foundation in biomolecular spectroscopy, the paper provides a general review of the achievements of and the latest progresses in THz -TDS technology in the study of molecular structure, dynamics and label-free detection of amino acid, polypeptide and protein. Investigating the structure and dynamics of amino acids and polypeptides in low-frequency range is necessary and fundamental for comprehensive understanding of protein function. The absorption coefficients and refractive indices of different amino acids and peptides were summarized, and the results from different research groups were collected. The combination of absorption coefficient and refractive index enables us to discuss rigorously the dynamics of the total dipole moment of protein system. Biological polymers are expected to exhibit broad vibrational spectral features in the THz range corresponding to functionally relevant, global and subglobal collective modes with periods on the picosecond timescale. Some studies focused on the absorption spectrum of hydrated, dehydrated protein powder and solvated protein in an effort to monitor these collective motions. The results indicated that THz -TDS allows rapid characterization of the dynamical transition without label. However, THz technique is still in its infancy compared with other electromagnetic waves. The problem and the prospect of the application of THz -TDS at this stage are also discussed.
		2008 Vol. 28 (10): 2237-2242 [Abstract] ( 1663 ) PDF (1336 KB) ( 617 )

	2243	Compensation of Backscattering Coefficient in Fourier-Domain Optical Coherence Tomography
		LIN Ling¹,ZHANG Tae-Sok^1,2,REN Zhao¹,LI Gang¹,ZENG Rui-li^1,3
		DOI: 10.3964/j.issn.1000-0593(2008)10-2243-06
		According to the phenomenon that the intensity of backscattering light decreases dramatically as the detecting depth increases, causing blurred imaging in Fourier-domain optical coherence tomography (FDOCT), a compensation method used for different detecting depth was advanced in the present paper. Through compensating the incident power and scattering coefficient of back-scattered light in each layer of the sample, the real gray level of the image was obtained. With the model of multi-layered homogeneous tissue, the main factors influencing image gray were analyzed. Establishing the FDOCT system with multi-layer cover-glass to be the sample, the structure image was obtained. On the basis of cover-glass as the sample, the general formulas for multi-layer compensation were derived. Combining the theoretical compensation and experimental situation, the obtained data were compensated from incident and emergent intensity. The results show that this compensation method is an effective and feasible way to make the deep layer more visible.
		2008 Vol. 28 (10): 2243-2248 [Abstract] ( 1546 ) PDF (1433 KB) ( 464 )

	2249	The Preparation and Characterization of 1-D Orderly ZnO Nanorod Arrarys
		LIU Ran,ZHANG Ting^*,ZHAO Su-ling,XU Zheng,ZHANG Fu-jun,YUAN Guang-cai,XU Xu-rong
		DOI: 10.3964/j.issn.1000-0593(2008)10-2249-05
		Improving on the sealing and high pressure conditions of traditional hydrothermal method, vertical ZnO nanorod arrays were synthesized on indium tin oxide substrate by employing Zn(NO₃)₂·6H₂O, (CH₂)₄N₆ as the starting materials in the presence of polyethylenimine(PEI) at ambient pressure and low temperature (92°). Between the substrate and the nanorods, a layer of ZnO flim was prepared as buffer layer and seed layer. The ZnO film was gained by spin-coating zinc acetate solution on indium tin oxide substrate, then annealed at 350 ℃ for 20 min, which can make zinc acetate decompose into zinc oxide. The zinc acetate spin-coating and decomposition procedure was carried out twice to ensure a complete and uniform coverage of ZnO seeds. The second layer was annealed at 500 ℃ for 30 min. Different spin-coating speeds were adopted, one was 2 500 r·min^-1,and the other was 5 000 r·min^-1. XRD result indicated that the seed layer with 5 000 r·min^-1 has better alignment than the layer with 2 500 r·min^-1. The aligned seeds with 5 000 r·min^-1 show only a (002) reflection, indicating their complete c-axis texturing, whereas the spin-coated seeds give a powder pattern because they rest at all angles on the substrate. SEM result shows that the layer is made up of grains with an the average size of about 30 nm. Well-aligned ZnO nanorod arrays were synthesized by putting the substrate with ZnO seeds into the precursor solutions vertically for one hour. The nanorod arrays were taken out and rinsed with clean ethanol and pure-water for several times, blown dry with a stream of nitrogen, then annealed at 400 ℃ for 30 min in order to wipe off the organic solvent. At room-temperature, the SEM and XRD were measured. SEM results indicate that the crystal structure of most of ZnO nanorods is hexagonal wurtzite crystallographic phase structure, mainly vertical to the substrate. ZnO nanorods have good crystallization, the diameter of the rods is around 40 nm, and the length is above micrometer. The XRD results showed the nanorod arrays have (002) and (004) angles, and the (002) is quite strong. Absorption spectra of the nanorod arrays shows ZnO essence absorption and strong ultraviolet absorption, indicating that ZnO has good quality. Optical properties were studied, and the excitation spectra of the nonorod arrays showed a strong and narrow peak at 387 nm with FWHM smaller than 30 nm and a weak blue peak.
		2008 Vol. 28 (10): 2249-2253 [Abstract] ( 1682 ) PDF (1642 KB) ( 563 )

	2254	Preparation and Photoluminescence Study of Er³⁺∶Y₂O₃ Transparent Ceramics
		LUO Jun-ming^1,2,LI Yong-xiu¹,DENG Li-ping²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2254-04
		Y₂O₃ acted as the matrix material, which was doped with different concentrations of Er³⁺,Er³⁺∶Y₂O₃ nanocrystalline powder was prepared by co-precipitation method，and Er³⁺∶Y₂O₃ transparent ceramics was fabricated by vacuum sintering at 1 700 ℃, 1×10^-3 Pa for 8 h. By using the X-ray diffraction (D／MAX-RB)，transmission electron microscopy(Philips EM420)，automatic logging spectrophotometer(DMR-22), fluorescence analyzer ( F-4500) and 980 nm diode laser, the structural，morphological and luminescence properties of the sample were investigated. The results show that Er3+ dissolved completely in the Y₂O₃ cubic phase, the precursor was amorphous, weak diffraction peaks appeared after calcination at 400 ℃，and if calcined at 700 ℃, the precursor turned to pure cubic phase. With increasing the calcining temperature, the diffraction peaks became sharp quickly, and when the calcining temperature reached 1 100 ℃, the diffraction peaks became very sharp, indicating that the grains were very large. The particles of Er³⁺∶Y₂O₃ is homogeneous and nearly spherical, the average diameter of the particles is in the range of 40-60 nm after being calcined at 1 000 ℃ for 2 h. The relative density of Er³⁺∶Y₂O₃ transparent ceramics is 99.8%, the transmittance of the Er³⁺∶Y₂O₃ transparent ceramics is markedly lower than the single crystal at the short wavelength, but the transmittance is improved noticeably with increasing the wavelength, and the transmittance exceeds 60% at the wavelength of 1 200 nm. Excited under the 980 nm diode laser, there are two main up-conversion emission bands, green emission centers at 562 nm and red emission centers at 660 nm, which correspond to ⁴S_3/2/²H_11/2-⁴I_15/2 and ⁴F_9/2-⁴I_15/2 radiative transitions respectively. By changing the doping concentrations of Er³⁺,the color of up-conversion luminescence can be tuned from green to red gradually. The luminescence intensity is not reinforce with the increase in the concentration, so the doping concentration of Er³⁺ should not exceed 2%. If the doping concentration of Er³⁺ exceeds the range, the concentration has very small effect on the improvement of luminescence intensity.
		2008 Vol. 28 (10): 2254-2257 [Abstract] ( 756 ) PDF (860 KB) ( 493 )

	2258	Crystal Structures and Luminescence Property of d¹⁰ Transition Metal Complexes
		CHI Yu-xian¹,NIU Shu-yun^1*,JIN Jing¹,YANG Guang-di²,YE Ling²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2258-05
		Five Zn(Ⅱ) and Cd(Ⅱ) coordination complexes, [Zn(NA)₂(H₂O)₄](1), [Zn(INA)₂(H₂O)₄](2), [Zn(2,2’-bipy)₂(SCN)₂](3), [Cd(INA)₂(H₂O)₄](4) and [Cd(phen)₂(NO₃)₂](5) (HNA=nicotinic acid, HINA=isonicotinic acid,2,2’-bipy=2,2’-bipyridine, phen=1,10-phenanthroline), were synthesized through constant temperature magnetic stirrer or hydrothermal method, and their single-crystal structures were determined by X-ray diffraction. The authors measured the IR, UV-Vis-NIR and fluorescence spectra of the complexes and analyzed their photophysical properties. At room temperature in the solid state the five complexes can show strong fluorescence, i.e., λ^em_max=362 nm (λ^ex=330 nm), (1); λ^em_max=424 nm (λ^ex=330 nm), (2); λ^em_max=442 nm (λ^ex=380 nm), (3); λ^em_max=424 nm (λ^ex=330 nm), (4); λ_em_max=456 nm (λ^ex=360 nm), (5), and complex (5) can emit phosphorescence upon excitation at 360 nm (λ^pl_max=546 nm, τ= 10 ms). But the organic ligands are different, which lead to the luminescence property of complexes originating from different charge transfer. Compared with the relevant ligands (λ^em_max=380 nm, HNA; λ_em_max=541 nm,2,2’-bipy), the fluorescence emissions of complex (1) and (3) show a blue-shift which mainly comes from the ILCT (intraligand charge transfer) and at the same time exists L→M(4S) transfer. The emissions of complex (2) and (4) come from LMCT (ligand-to-metal charge transfer) and show red-shift compared to that of free ligand (λ^em_max=337 nm, HINA). For complex (5), the appearance and position of its emission are different from those of the ligand (λ^em_max=381 nm, phen), which is attributed to LLCT (ligand-to-ligand charge transfer) and LMCT.
		2008 Vol. 28 (10): 2258-2262 [Abstract] ( 1377 ) PDF (1172 KB) ( 598 )

	2263	Detecting Cerebral Hypoxia-Ischemia of Newborn Piglets Using Spatially-Resolved Near-Infrared Spectroscopy
		HOU Xin-lin¹,TENG Yi-chao¹,DING Hai-shu^1*,DING Hai-yan¹,ZHOU Cong-le²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2263-05
		As a non-invasive technique for measuring tissue oxygenation, near-infrared spectroscopy (NIRS) has increasing applications in detecting cerebral hypoxia-ischemia. The authors introduced the basic principle of the NIRS oximeter developed independently by our group (TSAH-100). The authors achieved the optimal coupling between the probe and the detected cerebral tissue. The present study investigated different regional oxygen saturations of brain (rSO₂) measured non-invasively by NIRS, arterial blood oxygen saturation (SaO₂) measured invasively by blood gas analysis and physiological parameters in newborn pigs with different hypoxia, in order to prove if the non-invasively cerebral rSO₂ can indicate cerebral oxygenation status in clinical practice. Using this oximeter, cerebral rSO₂ of 28 newborn piglets under different oxygenation status was detected. After mechanical ventilation and inhalation of 8%-17% oxygen for 30min in the newborn pigs, the pigs were grouped according to the inhalation of oxygen. With the inhalation of 13%-17% oxygen was mild hypoxia group, with 10%-13％ was moderate hypoxia group, and with 8%-10％ was severe hypoxia group. There were 4 animals in mild hypoxia group, 8 animals in moderate hypoxia group, 12 animals in severe hypoxia group and 4 animals were in the normal control group. The physiological parameters were monitored during the experiment. The SaO₂ were invasively measured by blood gas analysis after the experiment. The results indicate that both rSO₂ and SaO₂ decreased after different degree of hypoxia and there was a good correlation between cerebral rSO₂ non-invasively measured by NIRS and SaO₂ invasively measured by blood gas analysis (p<0.001). Cerebral rSO₂ was also consistent with the degree of hypoxia and the changes in physiological parameters after hypoxia. The arterial pH and the mean arterial pressure (MAP) in the severe hypoxia group was lower than that in the control group (p<0.05). The blood lactic acid in the severe hypoxia group was higher than that in the control group (p<0.05). Thus, the rSO₂ can accurately and directly indicate cerebral oxygenation status and can also replace the SaO₂ invasively measured by blood gas analysis. Cerebral hypoxia-ischemia can be non-invasively and conveniently diagnosed using NIRS.
		2008 Vol. 28 (10): 2263-2267 [Abstract] ( 1420 ) PDF (811 KB) ( 534 )

	2268	Research on the Measurement of Flue-Dust Concentration in Vis, IR Spectral Region
		SUN Xiao-gang,TANG Hong,YUAN Gui-bin
		DOI: 10.3964/j.issn.1000-0593(2008)10-2268-05
		In the measurement of flue-dust concentration based on the transmission method, the dependent model algorithm was used to invert the flue-dust concentration in the visible, infrared and visible-infrared spectral regions respectively. By the analysis and comparison of the accuracy, linearity and sensitivity of the inversion flue-dust concentration, the optimal spectral region was determined. Meanwhile, the influence of the water droplet with different size distribution and volume concentration was simulated, and a method was proposed which has advantages of simplicity, rapidity, and suitability for on line measurement. Simulation experiments illustrate that the flue-dust concentration can be inverted very well in the visible-infrared spectral region, and it is feasible to use the ratio of the constrained light extinction method to overcome the influence of water droplet. The inverse results all remain satisfactory when 2% stochastic noise is added to the value of the light extinction.
		2008 Vol. 28 (10): 2268-2272 [Abstract] ( 1399 ) PDF (860 KB) ( 563 )

	2273	Bio-Optical Model of Total Suspended Matter Based on Reflectance in the Near Infrared Wave Band for Case-Ⅱ Waters
		XU Jing-ping^1,2,ZHANG Bai¹,SONG Kai-shan¹,WANG Zong-ming¹,DUAN Hong-tao^1,2,CHEN Ming^1,2,YANG Fei^1,2, LI Feng-xiu^1,2
		DOI: 10.3964/j.issn.1000-0593(2008)10-2273-05
		From August to October,2006, reflectance spectra were measured in a turbid Case-Ⅱ waters condition with an ASD FieldSpec spectrometer for a total of 58 samples. Based on the observation of reflectance curves, spectral analysis was carried out over 400-1 200 nm. Showing the typical character of Case-Ⅱ waters, the reflectance values were generally higher than those in other similar studies. Strong backscattering of high concentration total suspended matter (TSM) contributed considerably to the total reflectance spectra in water. Two obvious TSM reflectance peaks were observed in the near infrared wave bands, i.e. 808 and 1 067 nm, especially the latter one that was never reported before. The highest correlation coefficient between reflectance and concentrations of TSM existed at 873 nm. Based on the simplification of water inherent optical parameters in the near-infrared wave band, including absorption of TSM, Chlorophyll-a (Chl-a) and chromophoric dissolved organic matter (CDOM), and backscattering of pure water, Chl-a and CDOM, three empirical equations of the bio-optical model using reflectance at 808, 873 and 1 067 nm respectively were established to estimate the concentrations of TSM. Compared with linear and exponential models, the bio-optical model showed fairly good performance with comparatively high determination coefficient (r²) and low root mean squared error (RMSE), which confirmed the applicability of the bio-optical model to retrieve concentrations of TSM effectively in turbid Case-Ⅱ waters.
		2008 Vol. 28 (10): 2273-2277 [Abstract] ( 1419 ) PDF (1199 KB) ( 542 )

	2278	Method of Infrared Spectrum On-Line Pattern Recognition of Mixed Gas Distribution Based on SVM
		BAI Peng^1,2,JI Juan-zao³,ZHANG Fa-qi³,LI Yan²,LIU Jun-hua4, ZHU Chang-chun¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2278-04
		In order to solve the difficulties that the spectrum training data samples of the massive mixed gas cannot be actually obtained, the analysis precision is low and it is not real time online analysis in the analysis of mixed gas component concentration, the support vector machine, a new information processing method, was used in the mixed gas infrared spectrum analysis, and the concept of mixed gas distribution pattern was proposed in the present paper. Based on the thought that the mixed gas distribution pattern recognition is carried out first, and then the analysis work of mixed gas component concentration is done, sixty kinds of mixed gas distribution pattern were determined after investigation and study, and 6 000 mixed gas spectrum data samples were used for model training and testing. Sequential minimal optimization algorithm was applied to realize the decrement and the increase of online learning, and finally the model of infrared spectrum online pattern recognition of mixed gas distribution based on SVM was established. The model structure is composed of 2 levels, pattern recognition level and result output level. The pattern recognition level completes the task of mixed gas distribution pattern recognition; while the result output level is composed of 60 SVM calibration models, and it completes the task of mixed gas concentration analysis. Experimental results show that the correct recognition rate of mixture gas distribution pattern is not lower than 98.8%, and that the method can be used for online recognition of mixed gas distribution pattern under the conditions of small samples of a mixed gas, and can add new mixed gas online, and it has the practical application value.
		2008 Vol. 28 (10): 2278-2281 [Abstract] ( 1446 ) PDF (577 KB) ( 526 )

	2282	Investigation on Baseline Correction in Pollutant Monitoring On-Line by NIR Spectroscopy
		SUN Yi, DU Zhen-hui^*,YIN Xin, XU Ke-xin
		DOI: 10.3964/j.issn.1000-0593(2008)10-2282-03
		Spectroscopic data pre-processing is important to spectra scaling and quantitative analysis, and correction of baseline drift caused by variation of measuring condition is critical in NIR spectroscopy analysis in-situ. In the present paper, the NIR absorption spectra of propane and isobutane with different concentration were detected by BRUKER EQUINOX55 spectrometer. The “Derivative-smooth” method and the baseline correction method which is accessory of the instrument were theoretically analyzed, and the data processed by the two kinds of method were compared. The results show that the method that is accessory of the instrument can correct steady-state and linear drift, and can gain high SNR, high accuracy; “Derivative- smooth” method has better applicability, can correct non-steady-state and nonlinear drift better, and is a good kinds of pre-processing method in analysis in situ.
		2008 Vol. 28 (10): 2282-2284 [Abstract] ( 559 ) PDF (967 KB) ( 552 )

	2285	Target Infrared Detection in Target Spray
		DENG Wei,HE Xiong-kui^*,ZHANG Lu-da,ZENG Ai-jun,SONG Jian-li,ZOU Jian-jun
		DOI: 10.3964/j.issn.1000-0593(2008)10-2285-05
		Crops in agriculture and forestry are normally planted discretely. The chemical sprayed between crops would cause great waste and serious environment pollution. Therefore realization of the precision spray has great significance. This research discussed the method to realize automatic target detection using infrared detect technology. The infrared can avoid the interference of the visible light effectively and the response speed is very fast. Therefore it can be used to implement non-tough detection. Photoelectric detection systems based on infrared detect technology are normally stable, reliable, low cost, simple structure, and easy to be practically utilized. Therefore it is widely used in the on-line real time detection field. Its key point is to determinate the characteristic wavelength or wave band. The infrared lights emitted from the infrared light emitting diode were irradiated to the detected objects. The reflected infrared lights could be received by the photoelectric device. Then control signal was triggered and automatic target spray was realized. Code-division infrared detection circuit was used in the system. Modulated pulse infrared signals using different coding were used in different photodetector units in the built system so as to eliminate the light path interference between different detector units and other light signal interferences. Therefore the interference capacity of the system is high. The test results showed that the automatic target spray equipment set up in the study could detect crop targets automatically. The light wavelength used in the test is 850 nm. The detection range was tunable within 0.1-0.5 m. The least targets detectable distance was less than 0.3 m.
		2008 Vol. 28 (10): 2285-2289 [Abstract] ( 1251 ) PDF (1167 KB) ( 752 )

	2290	Progress in the Study of Impact of Scattering on Stability of Quantitative Analysis Model Using Near Infrared Spectroscopy Technology and Correction Methods
		LIU Li,HUANG Lan,YAN Yan-lu,WANG Zhong-yi^*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2290-06
		Near infrared spectroscopy technology for inner quality detection and analysis is a rapid and accurate technique. The factors affecting the stability of quantitative analysis models based on NIRS especially the influence of scattering, were investigated. The methods of determination of the parameters of optical properties of sample (scattering coefficient and absorption coefficient) and the interaction between light and sample were summarized. The progress in pretreatment methods to improve the model’s stability, such as transformation of standard normal variate (SNV) and multiplication scatter correction (MSC); as well as the multivariate calibration model techniques, such as partial least square (PLS) and primary component analysis regression(PCA), were also described. The model with scatter correction pretreatments and different regression methods were compared to establish a better regression equation by near Infrared reflectance spectroscopy (NIRS). Although pretreatment methods could improve the robustness of model for influence of scattering, new techniques should be employed to eliminate the error of predication under scattering condition when samples are complicated in physical states and are in the large range of concentration.
		2008 Vol. 28 (10): 2290-2295 [Abstract] ( 1408 ) PDF (967 KB) ( 500 )

	2296	FTIR Spectroscopic Studies of Facial Prosthetic Adhesives
		KANG Biao¹,YANG Qing-fang²,LIANG Jian-feng²,ZHAO Yi-min^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2296-03
		According to the composition of the traditional facial prosthetic adhesives, most of adhesives can be classified into two categories: acrylic polymer-based adhesive and silicone-based adhesive. In previous studies, measurements of various mechanical bond strengths were carried out, whereas the functional groups of the adhesives were evaluated seldom during the adhesion. In the present study the analysis of two facial prosthetic adhesives (Epithane³ and Secure² Adhesive) was carried out by using infrared spectroscopy. Two adhesives in the form of fluid or semisolid were submitted to FTIR spectroscopy, respectively. The results showed that water and ammonia residue volatilized during the solidification of Epithane³,and absorption peak reduction of carbonyl was due to the volatilization of acetate vinyl from Secure² Adhesive. Similar silicone functional groups both in the silicone-based adhesive and in silicone elastomer could be the key to higher bond strength between silicone elastomer and skin with silicone-based adhesive. The position, shape of main absorption peaks of three adhesives didn’t change, which showing that their main chemicals and basic structures didn’t change during solidification.
		2008 Vol. 28 (10): 2296-2298 [Abstract] ( 1504 ) PDF (525 KB) ( 511 )

	2299	Calibration Transfer between Two FTNIR Spectrophotometers Using SVR
		ZHAO Long-lian^1,2,LI Jun-hui¹,ZHANG Wen-juan¹,WANG Jian-cai¹,ZHANG Lu-da^3*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2299-05
		In the present research，a set of maize powder samples was used to study the calibration transfer between two fourier transform near-infrared (FTNIR) spectrophotometers, and a method of moving window support vector regression machines(SVR) was used to correct the differences between the two instruments. Bruker Vector 22/N was referred to as “master” on which the maize protein calibration model was built. Bruker MPA was referred to as “slave” instrument. A transformation matrix was constructed based on the spectra of a sample set (for calibration transfer) measured on both instruments. After transfer, NIR spectra acquired on “slave” will appear as if they were measured on master instrument. The calibration model available for the master can then be used to predict the transformed spectra measured on the slave. The transfer parameters were computed as follows. For wavelength i, the absorbance vector obtained on the master instrument was regressed against the corresponding absorbance matrix of a spectral window obtained on the slave instrument. Method of SVR was used for regression. Moving the wavelength i and corresponding window, the transfer parameter for each wavelength can be obtained. For the two FTNIR spectrophotometers, a window size of 31 wavelengths and a subset of 15 transfer samples were chosen to establish the SVR regression model between “master” and “slave”. Applying the calibration model to the prediction samples after being corrected by the transfer parameters, a good transfer performance can be achieved. The correlation coefficient (r) is 0.943 4，while the relative standard deviation(RSD) is 4.23%. These results suggest that the SVR method can be used to successfully transfer the calibration model for protein of maize developed on a FTNIR spectrophotometer to another.
		2008 Vol. 28 (10): 2299-2303 [Abstract] ( 1420 ) PDF (828 KB) ( 522 )

	2304	Passive Detection of Aeroengine Exhaust Based on Fourier Transform Infrared System
		LI Shao-cheng¹,ZUO Hong-fu²,XIA Qing²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2304-04
		Since the composition and concentration of aeroengine exhaust can reflect the combustion efficiency, they can provide the basis for condition based maintenance, and also the basis for the analysis of environment pollution caused by aeroengine exhaust. So the importance of aeroengine exhaust detection is evident. Up to now, the measurement of aeroengine exhaust is based on sampling analysis which is not convenient and can’t meet the detection requirements when an aeroplane is flying-off or flying in the sky. Hence, new methods of exhaust detection must be studied. The passive measurement technology based on Fourier transform infrared spectroscopy (FTIR) was applied to the measurement of aeroengine exhaust in the present paper. At first, the principle of passive measurement based on FTIR was introduced in detail. On this basis, a model algorithm for gas concentration calculation was deduced based on the principle of infrared transmission. Then the feasibility of aeroengine exhaust measurement based on passive FTIR was analyzed, and the passive measurement method of aeroengine exhaust based on FTIR was given. In the end, an experiment of aeroengine exhaust passive measurement was carried out by a FTIR with the type of Tensor 27 produced by BRUKER. Good quality spectra of the exhaust and the background were measured. Based on the model algorithm of passive measurement, the absorbance spectra of CO and NO were obtained respectively, and the concentrations of CO and NO were figured out. To check up the veracity of this method, a comparison was made with another apparatus. There were only little differences between the results of the two experiments, showing that the passive measurement technology based on FTIR could meet the requirements of aeroengine exhaust detection.
		2008 Vol. 28 (10): 2304-2307 [Abstract] ( 1333 ) PDF (669 KB) ( 511 )

	2308	Analysis of Near Infrared Spectra of Apple SSC by Genetic Algorithm Optimization
		WANG Jia-hua,HAN Dong-hai^*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2308-04
		Genetic algorithm (GA) is an effective method in regions selection applied in building multivariate calibration model based on partial least squares regression. If genetic algorithm is run repeatedly as a block, the optimal solution is obtained faster, the numbers of data used to build calibration model are further reduced, and the prediction precision is further improved. An efficient method named region selecting by genetic algorithms (R-SGA) for building a PLS calibration model of NIR is presented in the present paper, in which each gene of chromosome represents a sub-region. In the R-SGA method, one needs to divide averagely the full spectral band into many sub-regions, and to build a research space with all the combinations of these sub-regions. The FT-NIR spectra were processed by GA after MSC and Savitky-Golay smoothing, a PLS calibration model of NIR was built by using the optimal combinations of these sub-regions. Meanwhile, the full region selecting PLS (FS-PLS) and experiential region selecting PLS (ES-PLS) models were developed using spectra after first-order derivative pretreatment. The seven intervals selected by region selecting by R-SGA which contained 434 variables were used as calibration set in GA-PLS. The prediction precision of GA-PLS model was better than FS-PLS and ES-PLS models, with R_C=0.966, RMSEC=0.469, R_V=0.954 and RMSEP=0.797. It was concluded that by using GA technique, in the pretreatment of apple SSC model by PLS, it is possible to optimize data selecting, enhance the precision of prediction and reduce the number of variables of calibration.
		2008 Vol. 28 (10): 2308-2311 [Abstract] ( 1687 ) PDF (902 KB) ( 604 )

	2312	Spectroscopic Analysis of Substituted Tetraphenylporphyrin Iron, Manganese, Cobalt, Copper and Zinc Complexes
		WANG Lan-zhi^1,2,SHE Yuan-bin^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2312-06
		A full IR, UV-Vis, FIR, spectroscopic analysis on substituted porphyrin iron, manganese, cobalt, copper and Zinc complexes was performed, and the spectroscopic patterns were found for the metalloporphyrin compounds with various structures. Base on molecular structures theory, the reasons for the spectroscopic patterns were discussed deeply. Considering the inconsistency of the far-infrared spectra of the Fe-Cl axial bonds in chloro-iron tetraphenylporphyrins reported in the literature. Their far-infrared absorptions were investigated by using both theoretical analysis and experimental determination, and the results showing that their vibrational frequencies of the Fe—Cl bonds in different substitution chloro-iron tetraphenylporphyrins were associated with their structures, and were linearly related to the length of Fe—Cl bonds.
		2008 Vol. 28 (10): 2312-2317 [Abstract] ( 1763 ) PDF (686 KB) ( 701 )

	2318	Nondestructive Measurement of Vitamin C in Nanfeng Tangerine by Visible/Near-Infrared Diffuse Reflectance Spectroscopy
		LIU Yan-de,CHEN Xing-miao,SUN Xu-dong
		DOI: 10.3964/j.issn.1000-0593(2008)10-2318-03
		The present paper reports the study on visible/near-infrared (Vis/NIR) diffuse reflectance spectroscopy for nondestructive measurement of vitamin C in tangerine (Nanfeng, Jiangxi). In the wavelength range of 350-1 800 nm, principal component analysis (PCA) and partial least squares (PLS) were used to build mathematic models with respect to pre-processing spectra. The principal components (PCs) and wavelength selection for calibration model were determined based on full cross validation and regression coefficients. The results, based on prediction for 10 unknown samples, are 0.813,2.112 mg(100 g)^-1 and -0.810 mg(100 g)^-1 for prediction correlation coefficient, root mean square error of prediction, and prediction deviation, respectively. The analysis methods and conclusions of this experiment will provide some reference values for non-destructive measurement of vitamin C and other quality indices in Nanfeng tangerine using Vis/NIR diffuse reflectance spectrometric technique.
		2008 Vol. 28 (10): 2318-2320 [Abstract] ( 1070 ) PDF (556 KB) ( 613 )

	2321	Study on Component Detection of Cheese Wrapped by Polyethylene Film Based on NIRS
		PI Fu-wei¹,WANG Jia-hua¹,SUN Xu-dong²,HAN Dong-hai^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2321-04
		The possibility of direct determination of fat and protein of wrapped cheese by near infrared spectroscopy was studied. The influences of polyethylene film on the spectra were discussed in order to detect the components of wrapped cheese. And the influences were eliminated using Norris derivation filter pretreatment means. The models for fat and protein of wrapped cheese were calibrated by partial least squares regression (PLS) following eliminating outline, spectral pretreatment, and PLS factors optimization. The best models gave standard errors for calibration of 0.240 and 0.355, standard errors for prediction of 0.326 and 0.219, and correlation coefficients of 0.928 and 0.952 for fat and protein of wrapped cheese, respectively. The results showed no difference from those by non-wrapped cheese’s models, and were better than wrapped cheese’s models without Norris derivation filter pretreatment. Based on the results, it was concluded that near infrared spectroscopy is a reliable, accurate and fast method for non-invasive measurement of wrapped cheese fat and protein.
		2008 Vol. 28 (10): 2321-2324 [Abstract] ( 1535 ) PDF (775 KB) ( 499 )

	2325	Application and Prospect of Infrared Spectroscopy in Environmental Science
		LI Ying-hua^1,2,SUN Li-na^1*,HU Xiao-jun¹,SUN Tie-heng^1,3
		DOI: 10.3964/j.issn.1000-0593(2008)10-2325-04
		With the application of Fourier transform infrared spectrograph and the development of chemical metrology, Fourier transform infrared spectroscopy (FTIR) has become a kind of beneficial tool and means for analyzing samples. Especially with its strong identifying ability, exact determining results and fast response function, the application of FTIR method to environmental science has been popularized gradually. At present, people are launching applied study based on the specific property of FTIR in their corresponding field. Therefore, the present paper mainly introduced the current situation of study, progress and application of infrared spectroscopy in liquid, solid and gas environment state monitoring and qualitative analysis in the nearly past qualitative 10 years. In addition, the future development direction in environmental science is also discussed for its helpfulness in that field.
		2008 Vol. 28 (10): 2325-2328 [Abstract] ( 1535 ) PDF (557 KB) ( 546 )

	2329	Effect of the Film of Gold Nanowire Arrays on Surface Enhanced Raman Scattering
		ZHAI Xiao-feng¹,MU Cheng²,XU Dong-sheng²,TONG Lian-ming²,ZHU Tao²,DU Wei-min^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2329-04
		Metal nanowire arrays as surface-enhanced Raman scattering substrate, could bring high enhancement effect. According to the electromagnetic enhancement theory, the high enhancement factors come from the strong electromagnetic coupling between nanowires in the arrays. Gold nanowire arrays and gold nanobrushes were prepared by electro-deposition of gold into alumina template coated with gold film, then chemically etching alumina directly or rubbing gold film and chemically etching alumina. SEM showed the nanowires around 60 nm in diameter with length around 600 nm in the nanobrushes. In the gold nanobrushes, local nanowires collect in bundles after complete dissolution of alumina matrix due to the transverse tension during drying in the air. The two kinds of samples are different in structure. But optical transmission measurements of the two samples in the direction perpendicular to the substrate both showed plasma-enhanced absorption around 640-650 nm. The authors choose 4-mercaptopyridine (4-MP) as the probe molecules because 4-MP chemically adsorb on Au nanowires tightly by monolayer and align perpendicular to Au surface. SERS experiments were performend with a 632.8 nm laser. SERS signals come from the back scattering of the incident light propagating perpendicular to the Au substrates. And the Raman spectra were collected at more than 10 different points on each sample. A strong, locally inhomogeneous surface-enhanced Raman spectrum of 4-MP adsorbed on Au nanobrushes with enhancement factor as high as 1×10⁶ was observed. At the same time, SERS of 4-MP from the gold nanowire arrays under the same experiment conditions showed the enhancement factor around 10². Considering the optical transmission measurements of the two samples, the enhancement factors both come from resonance field enhancement. According to the difference of the two kinds of samples, the higher enhancement factors of gold nanobrushes are related with the gold film. According to the localization theory of electromagnetic field, the field around the upper part of the nanowires of the nanobrushes is far stronger than that of the bottom part and on the film. So the gold film introduced higher enhancement factors in SERS. The Raman spectrum of 4-MP also showed that the CT mechanism affects the enhancement factors.
		2008 Vol. 28 (10): 2329-2332 [Abstract] ( 1415 ) PDF (1078 KB) ( 563 )

	2333	Obtaining Aerosol Backscattering Coefficient Using Pure Rotational Raman Spectrum
		SU Jia^1,3,4,ZHANG Yin-chao²,HU Shun-xing¹,ZHAO Pei-tao¹,CAO Kai-fa^1,3,WANG Shao-lin^1,3,XIE Jun¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2333-05
		Atmospheric aerosol backscattering coefficient ratio can be obtained with the ratio of elastic signal to the total rotational Raman backscattering signal without assuming the ratio of aerosol extinction to backscatter. Generally, the intensity of partial rotational Raman spectrum lines instead of the total rotational Raman spectrum lines is measured. The intensity of the total rotational Raman spectrum lines is not dependent on the temperature, but the intensity of the partial rotational Raman spectrum lines is dependent on the temperature. So calculating aerosol backscattering coefficient ratio with the intensity of the partial rotational Raman spectrum lines would lead to an error. In the present paper, the change in the intensity sums of different rotational Raman spectrum lines with temperature was simulated and the errors of aerosol backscattering coefficient ratio derived from them were discussed. A new method was presented for measuring aerosol backscattering coefficient ratio, which needed not to measure the intensity of the total rotational Raman spectrum lines. Aerosol backscattering coefficient ratio could be obtained with the atmospheric temperature and a single rotational Raman spectrum line. Finally, aerosol backscattering coefficient ratio profiles of the atmosphere were acquired with the combined Raman lidar of our lab. The results show that there is no need to assume any relation between aerosol backscattering and extinction or to consider any wavelength calibration to determine the aerosol scattering coefficient.
		2008 Vol. 28 (10): 2333-2337 [Abstract] ( 1404 ) PDF (953 KB) ( 534 )

	2338	Study on the Pathological Uterine Tissues with a Fiber Raman Spectrometry
		WANG He-qun¹,Lü Gang²,SHI Zhen-zhi¹,ZHU Dan^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2338-05
		The Raman spectrum can reflect the differences in chemical components and molecular structures of tissues and cells, and significant progress has been made in the research on structures, functions and diseases of cells and tissues with Raman spectroscopy. A fiber Raman spectrometer was used to measure the Raman spectra of some uterine malignant, benign, and normal tissues, such as uterine myometrium tissue, uterine myoma tissue, normal endometrium tissue, malignant endometrium tissue and adenomyosis tissue. After having compared the Raman spectrum of pathological tissues with that of the corresponding normal tissues, we observed that the peak referring to Methionine ν(C—S) (Met ν(C—S)) splits into two peaks in the uterine myoma tissues caused by the vibrations of tryptophan (Trp) and cartotene, which are not present in the normal tissues. There is a peak at 1 447 cm^-1 in the endometrium tissues corresponding to CH₂—CH₃ def, which is one of the characteristic peaks of cancerous tissues. For the adenomyosis tissues, a peak caused by νC—C) skeletal-α helix is obviously weaker than that in normal tissue, and the peak induced by δ(C—O) shifts from 1 160 cm-1 in normal tissues to 1 173 cm^-1 in the adenomyosis tissues. Thus, it was demonstrated that the technology of Raman spectroscopy is available for distinguishing different pathological uterine tissues at molecular level. This study is not only helpful on early diagnosis of uterine diseases, but also very crucial for the basic research on uterine diseases. And the Raman spectroscopy technology based on optic-fibers has a potential to evolve into a highly sensitive technology for diagnosis.
		2008 Vol. 28 (10): 2338-2342 [Abstract] ( 1627 ) PDF (963 KB) ( 794 )

	2343	Technique of Confocal Raman Microscopy on Erythrocytes
		KANG Li-li^1,2,HUANG Yao-xiong^1*, LUO Man¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2343-05
		The technique of confocal Raman scanning microscopy (point scanning, line scanning and 2D scanning) and bright field imaging of living erythrocytes was investigated as a function of different scanning conditions at the excitation wavelength of 514 nm. The biological effect of the 514 nm laser radiation on the erythrocytes was also evaluated, so that a set of proper scanning parameters for different scan modes can be determined to obtain strong enough Raman signal while without damage on the living cells by evaluating the change of Raman spectra and lighted field images of the cells. For the point scanning mode, the laser power at sample is the most important parameter to be adjusted, which normally should be less than 1.5 mW. For the line scanning mode, the laser power at sample and scanning step should be considered at first. Small scanning step means the energy of laser accumulated at a small region, which can easily damage to erythrocytes. Large scanning step can reduce the damage; however the spatial resolution decreases also. It is recommended that scanning step should be more than 0.5 μm and laser power at sample should be less than 0.7 mW. For the 2D scanning mode, besides the laser power at sample, scan step needs to be adjusted, and other scan parameters need to be adjusted properly for reducing the effect of laser on erythrocytes. Large pinhole and relative low temperature of sample are the remedies, which can reduce the effect of laser on erythrocytes. 1.0 μm scanning step, 0.7 mW laser power at sample, 500 μm pinhole and proper low temperature can get better 2D Raman image of erythrocytes. For all scanning modes, if the Raman signal is strong enough, the exposure time can be shortened properly, thus reducing the effect of laser on erythrocytes. The optimization of experiment process is also important for Raman test on living cells.
		2008 Vol. 28 (10): 2343-2347 [Abstract] ( 1443 ) PDF (1016 KB) ( 520 )

	2348	Investigation of Accelerated Aging in Light and Writing Age of Roller Pen Inks
		ZHAO Peng-cheng^1,3,WANG Yan-ji²,XU Yuan-yuan¹,WAN Jing-han¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2348-04
		The aging of roller pen ink entries was accelerated in sunlight and ultraviolet, and the extracts of roller pen inks on paper were analyzed by capillary zone electrophoresis, photo diode array (PDA) detector. Scanning range of 190-600 nm was adopted in experiment and the change curves were obtained by the plot of the ratio of peak areas in electrophoretogram vs. accelerated aging. The rule of accelerated aging of roller pen ink was investigated by relative changes in content between different dyes in inks. In addition, the relative writing age of roller pen entries was investigated.
		2008 Vol. 28 (10): 2348-2351 [Abstract] ( 1563 ) PDF (1746 KB) ( 485 )

	2352	Study on Application of Gaussian Fitting Algorithm to Building Model of Spectral Analysis
		LI Min¹,SHENG Yi^2*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2352-04
		In the present paper, Gaussian fitting algorithm is introduced. It is possible to separate some Gaussian peaks in one spectrum and get peak height value, peak position value and other parameters by this algorithm. These Gaussian parameters are used to describe original spectral information and extract spectral feature. The spectral model is optimized and explained by the combination of the Gaussian fitting algorithm and multivariate calibration methods. The relationship between the spectra and the chlorophyll of the corn’s leaves is studied in this paper, every spectrum which contains 1 551 absorbance data is fitted and separated by three Gaussian peaks, and then 1 551 data are converted to 9 Gaussian parameters (approximately 0.58% of the whole original spectral data), and the chlorophyll content is estimated by the Gaussian parameters. This modeling method is fast and accurate for the estimation of a sample. The model of chlorophyll content with the Gaussian fitting algorithm and PLS is built in the range of 400-800 nm, and the experiment results show that the correlation coefficient between the estimated values and the real values is 0.960, and the relative standard deviation is 0.0485; The model of chlorophyll content with the Gaussian fitting algorithm and PCR is built in the same wavelength range, and the experiment results show that the correlation coefficient is 0.962, and the relative standard deviation is 0.048; while the correlation coefficient is 0.957 and the relative standard deviation is 0.051 for the model of PLS without Gaussian fitting algorithm; and the correlation coefficient is 0.919 and the relative standard deviation is 0.077 for the model of PCR without Gaussian fitting algorithm. The reliability of the prediction results shows that Gaussian fitting algorithm is satisfactory for building model of spectral analysis. Compared to the conventional methods, the method of Gaussian fitting algorithm can not only simplify the parameters of models, but also improve the explanation of analysis models. The result of the study shows that it is practical and feasible to apply the Gaussian fitting algorithm to quantitative analysis models.
		2008 Vol. 28 (10): 2352-2355 [Abstract] ( 1437 ) PDF (702 KB) ( 560 )

	2356	Study on Synthesis and Relation between Structure and Optical Properties of Stilbene Derivatives
		XU Hong-yao^1,2, WU Lei²,HU Lei²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2356-04
		In the present paper, three stilbene derivatives with different substitutions were synthesized by phase-transfer Wittig reaction and Pd(Ⅱ)-catalyzed heck reaction. The molecular structures were characterized by FTIR, elemental analysis and ¹H NMR spectra. The authors investigated the influence of molecular structure on electron absorption spectra and luminescence-emitting properties. The results show that compared with that of compound 3a without substitution with a maximum electron absorption peak at 356 nm, the substitution of CH₃ group results in a slightly red-shift of electron absorption peak wavelength of molecules to 358 nm, while the substitution of NO₂ group makes molecule possess larger π electron conjugation and the maximum absorption peak shifts to a longer wavelength region (388 nm). Simultaneously, it was found that the substitution of CH₃ group yields luminescence emission with a peak wavelength at 414 nm and the luminescence emission strength significantly increases in comparison with that of compound 3a without substitution. On the contrary, the substitution of electron-acceptor NO₂ group results in the decrease in luminescence emission strength with an emission maximum wavelength at 525 nm. Therefore, the structure of substitution on stilbene molecules has an important effect on their optical properties and this will provide some foundation for the structure design of emitting molecules in future.
		2008 Vol. 28 (10): 2356-2359 [Abstract] ( 1393 ) PDF (877 KB) ( 550 )

	2360	Experimental Investigation of Fluorescence Spectra of Serum Excitated with Different Wavelength Light
		WANG Le-xin^1,2,ZHAO Zhi-min^1*,XIN Yu-jun¹,GUO Lin-feng1,CHEN Hui¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2360-05
		In the present paper the fluorescence spectra of the blood serum excited with different wavelength were measured with the fluorescence photometer RF5301 (SHIMADZU) made in Japan. The relationship between the fluorescence spectra of the serum and the wavelength of the excitation light was studied during the experiment. The experimental results show that the linetype and peak wavelength of the fluorescence spectra of serum excited by ultraviolet radiation with different wavelength are almost the same, and they do not depend on the excitation wavelength. But the fluorescence peak value changes with the excitation wavelength. There are two high intensity emission intervals in the fluorescence spectra. One of these is from about 300 nm to 410 nm, and the other is below 310 nm. The fluorescence spectra are mostly centralized in the first interval, and the wavelengths of fluorescence peaks were found around two locations: one is near 330 nm and the other is near 370 nm. At this time the strife phenomena occur. When the excitation wavelength is about 250 nm or higher, the fluorescence peak only occurs at 330 nm, and the optimal excitation wavelength is 300 nm. While the wavelength is greater than 320 nm, the fluorescence intensity of the first interval begins to fall, while that of the other augments. And at this time the peak of wavelength of fluorescence is 452 nm. This study provides the experimental foundations for advanced study and applications of the characteristics of fluorescence spectrum of blood serum, and also offers the references to the wavelength selection of excitation light in the application of the photo-induced fluorescence spectra diagnostic technology.
		2008 Vol. 28 (10): 2360-2364 [Abstract] ( 730 ) PDF (1222 KB) ( 553 )

	2365	Algebraic Reconstruction Techniques and Improvement Studied with Spectroscopy
		SONG Yi-zhong^1,2,WEI Ben-zheng³,ZHAO Zhi-min¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2365-05
		The present article focuses on improving algebraic reconstruction technique(ART) for optical computerized tomography (OCT). With spectroscopy, a series of traditional ARTs were analyzed in detail, then a new improved ART was developed. The new ART was named simple self-correlative algebraic reconstruction technique(SSART). With numerical simulation technique, SSART reconstructing efficiency was demonstrated by reconstructing a simulated field with an opaque object. The simulation result and reconstructing accuracy were analyzed. Many current representative ARTs were studied in order to compare the reconstructing efficiency of the new ART with that of others. These ARTs included basic algebraic reconstruction technique：ART, simultaneous algebraic reconstruction technique：SART, and modified SART：MSART. Each of those was used for reconstructing the same simulated field as that SSART was used to reconstructing. The reconstruction results under the same condition were compared with each other. Reconstruction accuracy of each ART was weighed with three error indexes, mean-square error(MSE) , absolute value error(AVE), and peak error(PE). As the results, each error index of the reconstruction result with SSART declined a lot. The MSE of SSART was decreased about 26.6% compared to that of ART at the level of 10^-4 magnitude, and PE 77.6% at the level of 10^-2 magnitude. As far as the field with an opaque object is concerned, SSART improves the reconstruction result much, and increases the reconstruction accuracy a lot. SSART improves ARTs greatly.
		2008 Vol. 28 (10): 2365-2369 [Abstract] ( 1516 ) PDF (2648 KB) ( 550 )

	2370	Study on the Molecular Recognization of Fungicide of Kresoxim-Methyl with β-cyclodextrin and Its Derivatives
		XIAO Yu-mei,WU Yan-hua,LIU Ji-ping,LI Yan-fang,LI Nan^,QIN Zhao-hai^
		DOI: 10.3964/j.issn.1000-0593(2008)10-2370-05
		The molecular recognition of fungicide of kresoxim-methyl with β-cyclodextrin(β-CD) , methyl-β-cyclodextrin(RAMEB)and hydroxypropyl-β-cyclodextrin(RAMEB) was investigated by using UV-Vis spectroscopy analysis. The effect of temperature and polarity of solvent on the recognition interaction was studied. The driving force and the possible structure of the inclusion complexes were also discussed. The results presented that they formed inclusion complexes with a stoichiometry of 1∶1, and the formation constant of inclusion complexes was in the order of K_HP-β-CD>K_β-CD>K_RAMEB at 298.15 K. Elevation of the temperature triggered a decrease in stability of the inclusion complexes and the value of K_β-CD was the biggest at ≥303.15 K . The formation constant reduced sharply with the decreasing polarity of the solvent. The standard molar Gibbs energies, enthalpies and entropies were all negative. All the results indicated that the association of the guest molecule with β-CD was favored by enthalpy changes, and hydrophobicity and hydrogen bond interaction were main driving forces for the inclusion reaction. Our findings provided an important proof for the use of inclusion complexes of kresoxim-methyl with CDs.
		2008 Vol. 28 (10): 2370-2374 [Abstract] ( 573 ) PDF (1103 KB) ( 548 )

	2375	Influence of Substituents on Langmuir-Blodgett Films and Spectral Properties of Thulium Bisphthalocyanine Derivatives
		LIU Yun-long,WANG Wen-jun^*,GAO Xue-xi,LI Shu-hong,LI Yun
		DOI: 10.3964/j.issn.1000-0593(2008)10-2375-05
		The aggregation and spectral properties of three sandwich thulium bisphthalocyanine compounds in chloroform solution and LB films were investigated by using UV-Vis absorption spectra. The experimental results indicated that the three sandwich thulium bisphthalocyanine molecules formed H-aggregates in the chloroform solution, but the absorption spectra of the three sandwich thulium bisphthalocyanine compounds display strong absorption peaks of monomer when the concentration of the sandwich thulium bisphthalocyanine solutions was 10^-7mol·L^-1. The addition of substitutent —OC₈H₁₇ not only decreased the aggregation behaviors of the sandwich thulium bisphthalocyanine, but also leaded to red-shift of the absorption peaks, and it had a biggish influence on the intensity of absorption spectra. The absorption Soret bands were splitting when the substitutent —OC₈H₁₇ was added. The substitutent —OC₈H₁₇ had a strong effect on the existence state of bisphthalocyaines in LB films, while the TmPc2 and TmPcPc^* molecules formed H-aggregates in LB films, however TmPc^*₂ molecule formed T-aggregates. In the LB films, the distance between sandwich thulium bisphthalocyanine molecule was shortened, and the interaction of molecules was enhanced, therefore the absorption peaks were red-shifted compared with those in the solution, and the arranging state of sandwich thulium bisphthalocyanine molecule has biggish influence on the peaks of absorption spectra.
		2008 Vol. 28 (10): 2375-2379 [Abstract] ( 1464 ) PDF (1098 KB) ( 510 )

	2380	Study on Inclusion Complexes of β-Cyclodextrin with Zopiclone
		CHEN Yuan-yuan¹,LIU Jia-jia¹,TANG Ke-wen^1,2
		DOI: 10.3964/j.issn.1000-0593(2008)10-2380-04
		The inclusion complex formation of zopiclone with β-cyclodextrin was studied by using phase solubility method, and the formation constant for zopiclone -β-cyclodextrin was determined. The solubility of zopiclone and the formation constant were enhanced with the increase in β-cyclodextrin concentration and pH. The effect of temperature on the reaction was studied through thermodynamics, and the changes in entropy ΔS, enthalpy ΔH and free energy ΔG of the reaction were all negative, suggesting that the inclusion complexation is exothermic and can spontaneously occur by the balance of enthalpy driving and entropy opposing. The inclusion complex of zopiclone and β-cyclodextrin was prepared by a method of solidgrinding,Stable inclusion complex in solid state was characterized by IR spectra and DTA. Results showed that zopiclone-β-cyclodextrin conclusion complex could be formed, and β-cyclodextrin is a desirable solubilizer for zopiclone.
		2008 Vol. 28 (10): 2380-2383 [Abstract] ( 1540 ) PDF (1158 KB) ( 510 )

	2384	Accuracy Analysis on a Sort of Polarized Measurement in Remote Sensing
		CHEN Li-gang, HONG Jin, QIAO Yan-li, SUN Xiao-bing, WANG Yuan-jun
		DOI: 10.3964/j.issn.1000-0593(2008)10-2384-04
		Angular error of polarizer in polarimetric measurement is an important element affecting the measurement accuracy of degree of polarization, so angular error of polarizer should be considered in remote sensing of high-accuracy quantitative polarization. Simulation study shows that polarimetric measurement is relative to the polarization state (polarization angle or degree of polarization) of incident light in a specific measurement system of polarization. In the measurement mode of polarizer setting(0°，60°，120°), there is a maximum error of polarization measurement at the 0°or 180° polarization angle while a minimum error at the 30°，90°and 150° polarization angle; In the measurement mode of polarizer setting(0°，45°，90°), there is a maximum error of polarization measurement near the 45° polarization angle while a minimum error at the 0°，90°and 135° polarization angle. The larger degree of polarization of incident light often contributes to the bigger measurement error except for incident light with several polarization angles. So the polarization measurement may be evaluated by the average degree of polarizatioo of linearly polarized light introduced in this paper. It is indicated that the measurement mode of polarizer setting(0°，60°，120°) is better than that of(0°，45°，90°).
		2008 Vol. 28 (10): 2384-2387 [Abstract] ( 1513 ) PDF (939 KB) ( 508 )

	2388	Synthesis, Spectral Analysis, Antibacterial and Antitumor Activities of Co(Ⅱ) and Ni(Ⅱ) Ofloxacin Complexes
		WANG Yan-lou^1,2,FU Xu-chun³,LEI Qun-fang¹,CHEN Wei¹,WANG Guo-ping^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2388-04
		The interactions of cobalt sulphate and nickel acetate with ofloxacin (ofo, Ⅰ), a 4-quinoline derivative, were studied. The hydrothermal technique was adopted in this work. The isolated solid complexes were characterized by elemental analysis, infrared spectra, electronic spectra, fluorescence spectra and thermal analysis. The results support the formation of complexes of the formula Co(ofo)₂·4H₂O (Ⅱ) and Ni(ofo)₂·4H₂O (Ⅲ). The infrared spectra of the isolated solid complexes suggested that ofo acts as bidentate ligands through one of the oxygen atoms of the carboxylic group and the ring carbonyl oxygen atom. Thermogravimetric (TG) and its differential (DTG) were carried out for the complexes. The data obtained indicated that the thermal decomposition of the two complexes in inert atmosphere proceeded approximately with two main degradation steps. Ⅰ showed a intense fluorescence in solid state at λ_ex/λ_em=365 nm/461 nm, and two complexes displayed weakly similar emission maximum at 470 nm in the powder samples at ambient temperature, while the emission of Ⅱ and Ⅲ may be mainly originated from the intraligand excited states of Ⅰ. Ⅰ, Ⅱ and Ⅲ were assayed against two kinds of gram-positive and two kinds of gram-negative bacteria by in vitro doubling dilutions method. The results indicated that Ⅱ and Ⅲ have the similar minimal inhibitory concentration (MIC) as the Ⅰ against S. Aureus, M. Lutens, E. Coli and P. Aeruginosa. The inhibitory effect of Ⅰ, Ⅱ and Ⅲ on leukemia HL-60 cell line has been measured by using MTT (Methyl-Thiazol-Tetrozolium) method and that on liver cancer BEL-7402 cell line measured by SRB (Sulphurhodamin B) method. The results indicated that the complexes in the high concentration have inhibitory effect on HL-60 cell line.
		2008 Vol. 28 (10): 2388-2391 [Abstract] ( 1474 ) PDF (806 KB) ( 563 )

	2392	Simultaneous Resolution of Overlapped Spectra of Three Kinds of Organic Compounds Using a Wavelet Packet Transform-Based Generalized Regression Neural Network
		GAO Ling¹,LI Xiao-ping²,REN Shou-xin¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2392-04
		A wavelet packet transform-based generalized regression neural network (WPTGRNN) was developed to perform simultaneous spectrophotometric determination of p-nitroaniline, α-naphthylamine and benzidine. This method combines wavelet packet transform (WPT) with generalized regression neural network (GRNN) for improving the quality of noise removal and enhancing the ability of prediction. Wavelet packet representations of signals provided a local time-frequency description and separation ability between information and noise. The quality of noise removal can be further improved by using best-basis algorithm and thresholding operation. Generalized regression neural network (GRNN) was applied for overcoming the convergence problem encountered in back propagation training and facilitating nonlinear calculation. The GRNN is also advantageous in that the training process is much faster and without making any assumption about the form of the prediction model. By optimization, the wavelet function, decomposition level and smoothing factor of GRNN were selected. The partial least squares (PLS) method was used for comparative study. PLS method uses both the response and concentration information to enhance its ability of prediction. Three programs, PWPTGRNN, PGRNN and PPLS, were designed to perform relative calculations. Experimental results showed WPTGRNN method to be successful and better than others. Compared with GRNN method, the relative standard errors of all components between the actual and estimated values of mass concentration for WPTGRNN method decreased from 4.0% to 2.3%. Aniline- type compounds are widely applied in industries such as chemistry, printing and pharmacy, and are one of the most important raw materials for synthetic medicine, dye, insecticides, polymer and explosives. Aniline-type compounds are highly poisonous, and can also cause cancer. Simultaneous determinations of aniline-type compounds are very important in environmental and industrial analysis.
		2008 Vol. 28 (10): 2392-2395 [Abstract] ( 455 ) PDF (796 KB) ( 486 )

	2396	Principal Components Analysis with Sensation Network Applied in the Recognition of Medicine Spectrum
		YU Fa-jun¹,ZHAO Yuan-li¹,LIU Wei¹,Lü Jing²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2396-05
		On the basis of classical theory about spectral analysis, the present article used the method of principal component analysis to get the specificity of 83 ultraviolet absorption spectra from mammary gland patient pathology pieces of 83 cases. The authors chose 44 principal component data as training samples and the rest 39 as testing samples. After training discrete and continual sensation network, the authors found that the recognition rate of cancer was only 43.3% and the recognition of noncancerous one was 38.7% when using the discrete sensation network. However, because fuzzy-mathematics was introduced to the continual sensation network and the output value of this model was expanded to [0,1], the recognition rate of cancer reached 83.6% and that of noncancerous one was 76.3% when using this model.
		2008 Vol. 28 (10): 2396-2400 [Abstract] ( 1482 ) PDF (587 KB) ( 499 )

	2401	Distribution of Pb and Zn in Transgenic Metallothionein Tobacco
		SHENG Ji-ping^1,3,LI Han-chen²,LIU Kai-lang¹,RU Bing-gen³,SHEN Lin^1*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2401-03
		Transgenic metallothionein (MT) plant can clear the heavy metals from soil and environment, but the distribution of metals in plants has not been studied systematically. The Pb and Zn contents in different parts of transgenic MT tobacco plant of sixth generation and traditional plant (same culture variety as control) were analyzed. The Pb and Zn contents in total transgenic plant were 21.8% and 27.2% higher than control, respectively. The distribution of Pb and Zn in different organs varied in these two types of plants. The Pb and Zn contents in old leaves, stem and root in transgenic plants were significantly higher than those in wild type tobacco, while there was no significant difference in young leaves. The Pb contents in old leaves and root were 30.2% and 47.8% higher than those in the control, and the Zn contents in old leaves, stem and root were 4.7%,29.2% and 21.6% higher than those in the control. These data showed that Pb was accumulated in old leaves and root easily, while Zn was accumulated in old leaves and stem easily.
		2008 Vol. 28 (10): 2401-2403 [Abstract] ( 1443 ) PDF (404 KB) ( 536 )

	2404	Analysis and Estimation of the Phosphorus Content in Cucumber Leaf in Greenhouse by Spectroscopy
		ZHANG Xi-jie, LI Min-zan^*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2404-05
		A handheld spectroradiometer was used to measure the spectral reflectance of the crop with the measurable range from 325 nm to 1 075 nm. Since the first derivative of the spectra can well eliminate spectral error, it was calculated for each spectrum. The cucumber leaves were also sampled and the phosphorus content was measured for each sample with chemical method. First, the correlation between the phosphorus content of the cucumber leaf and the spectral reflectance was analyzed but high coefficient was not obtained. It was shown that there is not high linear relation between those. Then, the analysis was conducted between the phosphorus content of the cucumber leaf and the first derivative of spectrum for each sample. The coefficients were improved. However, it was not high enough to establish an estimation model. It shows that non-linear model is needed to estimate the phosphorus content of the crop leaf based on spectral reflectance. Artificial neural network (ANN) and support vector machine (SVM), the modern ealgorithm for modeling and estimating, were used to establish the nonlinear models. From stepwise multi-regression, four wavelengths, 978, 920, 737 and 458 nm, were selected as modeling wavebands. For the Artificial Neural Network (ANN) model, the data of spectral reflectance in the four wavebands were taken as the input and the phosphorus content was taken as the output. And the number of the neurons in the middle layer, the learning rate, and the learning error were set as 25, 0.05, and 0.001, respectively. The calibration accuracy of the model was 0.995, and the validation accuracy reached to 0.712. For the Support Vector Machine (SVM) model, the selected kernel function was anova, and the penalty parameter C and the linear ε-insensitive loss function were set as 100 and 0.000 01, respectively. The calibration accuracy of the model was closed to 1, and the validation accuracy reached to 0.754. It can be concluded that both nonlinear models are practical.
		2008 Vol. 28 (10): 2404-2408 [Abstract] ( 1357 ) PDF (1015 KB) ( 508 )

	2409	Study on Fluorescence Spectra of Chinese Rice Wine
		LIU Zhou-yi¹,ZHU Tuo^2*,GU En-dong¹,LIU Ying³,SONG Chun-yuan³
		DOI: 10.3964/j.issn.1000-0593(2008)10-2409-04
		Chinese rice wine has a history of more than 5 000 years, only in China, which is called ”Nation Wine”, and Shao Xing Chinese rice wine is a representative of it. The fluorescence spectra of 3 kinds of Shao Xing Chinese rice wine with different storage age induced by suitable UV-light were obtained in the present paper through experiment. The authors compared and analyzed them comprehensively by using three dimensional contour and two dimensional fluorescence technique, and found that their best induced light was all in the vicinity of 370 nm. The peak wavelength of 3 year storage age wine was 504 nm, while 488 nm and 505 nm were for 5 and 8 year storage age wine respectively. The emitted fluorescence existed in 400 to 680 nm, which had wide peak. More over, the emitting mechanism of Shao Xing Chinese rice wine was discussed. The authors also have explained the similarity and difference of fluorescence spectra among the 3 kinds of wine. The reason for wide fluorescence peak was also analyzed. This investigation contributes to the study of the characteristic, year detection and food safety of Chinese rice wine.
		2008 Vol. 28 (10): 2409-2412 [Abstract] ( 1421 ) PDF (1290 KB) ( 520 )

	2413	Preparation of Nd₂O₃ Nanoparticles by Ion Exchange Resin Homogenous Precipitation Method
		LIU Ying^1,2,FENG Jin-chao¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2413-04
		In the present paper, homogenous precipitation with Nd(NO)₃·6H₂O and (NH4)₂C₂O₄·2H₂O, a strong base anion exchange resin and strong acidic cation exchange resin, respectively, and subsequent calcination of precursors at 700 ℃ were used to synthesize Nd₂O₃ nanoparticles. In the precipitation from homogeneous solution, the relative supersaturation is always low and the local reagent excesses do not occur because the precipitating agent appears homogeneously throughout the entire solution. In general, homogeneous precipitates are better suited for analysis than precipitates formed by direct addition of a reagent. The concentration of reactant, reaction temperature and time are important factors which dominate the morphology and structure size of the Nd₂O₃ nanoparticles. Assay results showed that between 40 and 50 ℃，when the ion exchange resin was added tardily with continuous stirring and mixing, the precursor could be obtained after being filtered, washed, and dried at 80 ℃. The Nd2O₃ sample was obtained via calcination of the precursor at 700 ℃ for 1.5 h. The morphology, size and distribution of the precursors and samples were characterized by TG-DTA, XRD, TEM, HR-TEM, SAED and BET techniques. The forming mechanism of homogenous precipitation was discussed detailedly. The results indicated that the Nd₂O₃ nanocrystal prepared with the present method belonged to hexagonal crystal system, and its average diameter was 26-32 nm with better decentralization. The electron diffraction pattern which had a clear and regular lattice of Nd₂O₃ confirmed that the particles were monocrystals. The specific surface area of sample a and sample b was 42.57 and 29.43 m²·g^-1,respectively. The ion exchange resin homogenous precipitation method has such advantages as low cost，environmentally benign innocuity of the starting reagents, the simplicity of the synthetic route，easy recycling of ion exchange resin and so on，making it a promising method to be scaled up for industrial production.
		2008 Vol. 28 (10): 2413-2416 [Abstract] ( 1462 ) PDF (1078 KB) ( 467 )

	2417	Determination of the Retrieval Arithmetic of Aerosol Size Distribution Measured by DOAS
		SI Fu-qi¹,XIE Pin-hua¹,LIU Jian-guo¹,ZHANG Yu-jun¹,LIU Wen-qing¹,Hiroaki Kuze²,Nobuo Takeuchi²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2417-04
		Atmospheric aerosol is not only an important factor for the change in global climate, but also a polluting matter. Moreover, aerosol plays a main role in chemical reaction of polluting gases. Determination of aerosol has become an important research in the study of atmospheric environment. Differential optical absorption spectroscopy (DOAS) is a very useful technique that allows quantitative measurement of atmospheric trace gas concentrations based on their fingerprint absorption. It also can be used to retrieve aerosol extinction coefficient. In the present work, the method of determination of aerosol size distribution measured by flash DOAS is described, and the arithmetic based on Monte-Carlo is the emphasis. By comparison with the concentration of PM10, visibility and Angstrom wavelength exponent, a good correlation can be found. Application of DOAS in aerosol field not only provides a novel method for aerosol detection, but also extends the field of application of DOAS technology. Especially, aerosol DOAS plays an important role in the study of atmospheric chemistry.
		2008 Vol. 28 (10): 2417-2420 [Abstract] ( 1504 ) PDF (935 KB) ( 512 )

	2421	Determination of Trace Elements in Waste Beer Yeasts by ICP-MS with Microwave Digestion
		CHENG Xian-zhong, JIN Can, ZHANG Kai-cheng
		DOI: 10.3964/j.issn.1000-0593(2008)10-2421-04
		The waste beer yeast has rich nutritional compositions and is widely used in food, medical and forage industries. The security of the yeast plays an important role in everyone’s daily life. But the yeast contanining microamount of lead, cadmium, chromium, arsenic and other harmful metals is endangering human health. A new method was developed for the direct determination of eight elements, namely copper, lead, zinc, iron, manganese, cadmium, chromium and arsenic in waste beer yeast by inductively coupled plasma-mass spectrometry (ICP-MS) with microwave digestion.The parameters of plasma system, mass system, vacuum system and spectrometer system were optimized. The spectral interferences were eliminated by selecting alternation analytical isotopes of 65Cu, ²⁰⁸Pb, ⁶⁶Zn, ⁵⁷Fe, ⁵⁵Mn, ¹¹⁴Cd, ⁵²Cr and ⁷⁵As, and the internal standards of Rh was selected to compensate the drift of analytical signals. The samples were digested with concentrated nitric acid-hydrogen peroxide (2∶1) mixed solution more rapidly and more effectively. The effects of the type of mixed acid , the volume of digesting solution, heating time, and heating power were investigated in detail. In the closed system, the complete digestion was performed using 4 mL HNO₃ and 2mL H₂O₂ for 2.0 min at 0.5 MPa, 3 min at 1.0 MPa and 5 min at 1.5 MPa. The detection limits of these eight elements were 0.013-0.122 μg·L^-1. The relative standard deviation (RSD) was 0.94%-3.26% (n=9), and the addition standard recovery was 98.4%-102.6% for all elements. The proposed method has been applied to the determination of trace elements of Cu, Pb, Zn, Fe, Mn, Cd, Cr and As in waste beer yeast samples with satisfactory results. The determination results indicated that the content of trace elements of Cu, Pb, Cd and As in waste beer yeast samples are significantly low.
		2008 Vol. 28 (10): 2421-2424 [Abstract] ( 1031 ) PDF (504 KB) ( 555 )

	2425	Application of ICP-MS to Determination of Heavy Metal Content of Heavy Metals in Two Kinds of N Fertilizer
		RUI Yu-kui, SHEN Jian-bo, ZHANG Fu-suo^*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2425-03
		Environmental safety has been the focus worldwide, where involved are the pollutions of heavy metals, pesticides and persistent organic pollutants. Fertilizer has become one of the polluting sources of heavy metals, which are very deleterious to human health and environmental safety. Heavy metals are difficult to metabolize in human body and very harmful, so research on the pollution of heavy metals is considered increasingly important. The pollution sources of heavy metals include waste residue, waste water and exhaust gas from industry and automobile, and garbage from human life. The heavy metals in fertilizer can endanger the human body by the crop containing heavy metals. Two kinds of nitrogen fertilizer were analyzed in terms of the content of heavy metals by ICP-MS, and the results showed that the content of 10 kinds of heavy metals (Al, Ti, Cr, Ni, Cu, Zn, As, Cd, Hg and Pb) in (NH₄)₂SO₄ was 1 345.13, 35.12,2 539.27,287.26, 674.05,270.79, 42.54,22.13,27.20 and 123.87 ng·g^-1 respectively; and in CO(NH₂)₂ it is 71.59, 5.36, 1 167.71, 188.60, 7.46, 64.45, 10.55, 0.00, 0.09 and 3.71 ng·g^-1 respectively. All the data showed that CO(NH₂)₂ contained much less heavy metals than (NH₄)₂SO₄,so we should select CO(NH₂)₂ as the nitrogen fertilizer in agricultural production.
		2008 Vol. 28 (10): 2425-2427 [Abstract] ( 1441 ) PDF (282 KB) ( 503 )

	2428	Application of ICP-MS to Detecting Ten Kinds of Heavy Metals in KCl Fertilizer
		RUI Yu-kui, SHEN Jian-bo, ZHANG Fu-suo^*,YAN Yun, JING Jing-ying, MENG Qing-feng
		DOI: 10.3964/j.issn.1000-0593(2008)10-2428-03
		With the rapid development of society, more and more attention has been focused on environmental safety, especially on the pollutions of heavy metals, pesticides, persistent organic pollutants and deleterious microorganism. Heavy metals are difficult to metabolize in human body are quite harmful, so research on the pollution of heavy metals is increasingly important. There are many pollution sources of heavy metals, including waste residue, waste water and exhaust gas from industry and automobile, and garbage from human life. The contents of 10 kinds of heavy metals (Cr, Ni, Cu, As, Cd, Sn, Sb, Hg, Tl and Pb) in potassium fertilizer (KCl) from Russia were analyzed by ICP-MS. The results showed that potassium fertilizer (KCl) contained less heavy metals than organic-inorganic compound fertilizer; the content of heavy metals Cr, Ni, Cu, As, Cd, Sn, Sb, Hg, Tl and Pb is 0.00, 65.54,238.85, 190.60, 0.98, 14.98,2.97, 10.04, 1.28 and 97.42 ng·g^-1,respectively, which accords with the correlative standards. All the data showed that if potassium fertilizer (KCl) is manufactured through normal channel, the content of heavy metals should be little and safe.
		2008 Vol. 28 (10): 2428-2430 [Abstract] ( 1604 ) PDF (278 KB) ( 513 )

	2431	Determination of Lead in Microemulsified Rapeseed Oil and Bio-Diesel Oil by GFAAS
		LI Sheng-qing¹,HE Xiao-min¹,DU Ping¹,WANG Min²,CHEN Hao^1*,WU Mou-cheng³
		DOI: 10.3964/j.issn.1000-0593(2008)10-2431-05
		Bio-diesel oil has attracted much attention as a substitutable energy sources for its renewable and eco-friendly property. However, problems of lead contamination in fuel are also emphasized increasingly at present. So it was of quite significance to determine the contents of lead in bio-diesel oil and its raw material rapeseed oil. An effective method was developed for the rapid determination of lead in rapeseed oil and bio-diesel oil by graphite furnace atomic absorption spectrometry (GFAAS) after their stabilization as microemulsions. In this research work, polyethyleneglycol octyl phenyl ether and n-butanol were used for emulsifier and auxiliary emulsifying agent, respectively. For Pb, efficient thermal stabilization was obtained using NH₄H₂PO₄ as matrix modifier. Sample stabilization was necessary because of evident analyte losses that occurred immediately after sampling. Excellent long-term sample stabilization and the influence of the microemulsion composition on the GFAAS response were observed by mixing different organic solvents. The ashing and atomization temperature and ramp rate influenced the sensitivity obtained for Pb. Take this into account, the optimum conditions of the graphite furnace atomic absorption spectrometric determination of Pb in rapeseed oil and bio-diesel oil samples were investigated. The results showed that the microemulsion was quite stable when the value of V(20% polyethyleneglycol octyl phenyl ether), V(n-butanol), V(oil) and V(water) was 0.1∶8.9∶0.5∶0.5, without matrix interference effect. The determination limit of the proposed method was 126.2 μg·L^-1 for Pb, comfortably below the values found in the analyzed samples. The recoveries were from 81.8% to 109.0%, which performed using the addition of different concentrations of lead to bio-diesel oil, rapeseed oil and petrochemical diesel samples. The relative standard deviation of determination was 5.84%. This work showed the great efficiency of the microemulsion, indicating that it is possible to extract lead from the oil phase. The method was applied to the determination of lead in oil samples with satisfactory results.
		2008 Vol. 28 (10): 2431-2435 [Abstract] ( 1697 ) PDF (708 KB) ( 554 )

	2436	Determination of Arsenic Species in Bunge Pricklyash Seed by HG-AFS
		YANG Qian¹,TU Jian-bo²,WANG Si-wang^1*,XIE Yan-hua¹,WANG Jian-bo¹
		DOI: 10.3964/j.issn.1000-0593(2008)10-2436-05
		Some of traditional Chinese medicine (TCM) contain arsenide, such as realgar. The total amount of arsenic in the TCM exceeds the limits according to related regulations. But the roles of arsenic in TCM or its side-effects depend on its species existing in those therapies, not on the total amount of arsenic. Therefore, in recent years, the analysis of arsenic in TCM focuses on the species of arsenic. The present paper combines the method of extracting chemical composition from bunge pricklyash seed and analyzing the contents and the speciation of arsenic of bunge pricklyash seed (BPS) in different habitat by atomic fluorescence spectrometry (AFS-3100). By using 0.45 μm filter membrane and mixed solvent，two different species of the decoction of BPS were extracted，named the suspended and the soluble，and by using ion-exchange resin，the soluble arsenic could be separated as As(Ⅲ), As(Ⅴ), MMA and DMA. The authors established the segregation analysis methods for those species. The results shows that BPS in different habitat all contain arsenic，mostly as the species of inorganic arsenic，and the contents of As(Ⅴ) are higher than As(Ⅲ). The lixiviating rate of arsenic is highest with the solvent of methanol-water(4/1)，reaching 53.7%-62.3%. The recovery of the method was 96.0%-101.3% and the relative standard deviation was less than 2.66%. The results show that the sensitivity and reproducibility of this method were excellent，and provided theoretical basis for further development of BPS.
		2008 Vol. 28 (10): 2436-2440 [Abstract] ( 1554 ) PDF (616 KB) ( 513 )

	2441	Principal Component and Cluster Analysis of Trace Elements in Chinese Herb Salvia Miltiorrhiza and Its Relative Species
		YANG Zai-jun^{2, 3},ZHANG Li^{2, 3*},YANG Rui-wu^1,2,DING Chun-bang^1,2,ZHOU Yong-hong²,WAN De-guang³
		DOI: 10.3964/j.issn.1000-0593(2008)10-2441-05
		The contents of trace elements, including copper, zinc, iron, magnesium, calcium, chromium, lead, molybdenum, manganese, and cadmium in Chinese traditional herb S. miltiorrhiza and its relative species such as S. miltiorrhiza f. alba, S. evansiana, S. yunnanensis, S. przewalskii, S. cavaleriei, S. cavaleriei var. simplicifolia, S. roborowskii, S. omeiana, S. tricuspis, S. brevilabra and S. cynica were determined by atomic absorption spectroscopy. The principal components analysis of SPSS was applied to the study of characteristic elements in S. miltiorrhiza and its relative species. Three principal components which accounted for 79.3% of total variance were extracted from the original data. The first factor accounted for 49.6% of the total variance, which means that iron, manganese, copper, zinc, cadmium and lead are the characteristic elements in S. miltiorrhiza and its relative species. The results of cluster analysis show that the samples could cluster reasonably into two groups. The samples of S. miltiorrhiza from different regions were classified into one group except S. miltiorrhiza from Zhejiang and S. miltiorrhiza f. alba. The other Salvia species were classified into another group except S. cavaleriei. The S. miltiorrhiza and other Salvia species can be distinguished by this method, whose accuracy of classification is 90%. The cluster analysis based on the contents of trace element in S. miltiorrhiza and its relative species provided a quick, accurate and simple method for authentication of herb Salvia miltiorrhiza.
		2008 Vol. 28 (10): 2441-2445 [Abstract] ( 336 ) PDF (927 KB) ( 587 )

	2446	Preparation and Characteristics of A Novel Cu(Ⅱ)-Imprinted Epoxy Resin-Based Monolithic Polymer
		HOU Lin-xi, GUO Zhi-yong, WANG Sui^*
		DOI: 10.3964/j.issn.1000-0593(2008)10-2446-04
		A novel Cu(Ⅱ)-imprinted monolithic polymer was prepared by step-polymerization reaction of epoxy resin. A homogenous mixture of epoxy resin, diethylenetriamine as curing agent, copper ion as target molecule and polyethylene glycol as pore-forming reagent was poured into a glass-tube and polymerized under controlled reaction temperature and time. The PEG and copper ions were all removed from the solid product by deionized water and strong acid, respectively. The Cu(Ⅱ)-imprinted epoxy resin-based monolithic porous polymer was successfully obtained, which was used as solid-phase extraction matrix for preconcentration and separation of trace copper ions in aqueous solution for determination by atomic adsorption spectrometry. The effect of pH on adsorption, maximum adsorption capacity, selectivity, analytical precision and availability was investigated in details by a series of experiments. Under the optimized enrichment conditions, i.e. pH 5.0-9.0 of medium and flow rate below 5.0 mL·min^-1,the recovery of Cu(Ⅱ) ions in the aqueous solution could be over 95%. The maximum adsorption capacity is 126 mg Cu(Ⅱ)·g^-1 dried resin. The selective recognition ability of Cu(Ⅱ)-imprinted monolithic column is evidently preponderant over the non-imprinted materials. The up-loaded column could be completely eluted with 1.0 mol·L^-1 HNO₃ and flow rate below 2.0 mL·min^-1. The proposed procedure was applied to the analysis of a mixed sample with satisfied result.
		2008 Vol. 28 (10): 2446-2449 [Abstract] ( 1875 ) PDF (788 KB) ( 535 )

	2450	Application of Direct Demodulation Technique in Analysis of Ground Verification Test of X-Ray Spectrometer for Chang’E Mission
		ZHANG Jia-yu, WANG Huan-yu, ZHANG Cheng-mo, LIANG Xiao-hua, YANG Jia-wei, WANG Jin-zhou, CAO Xue-lei, GAO Min, CUI Xing-zhu, PENG Wen-xi
		DOI: 10.3964/j.issn.1000-0593(2008)10-2450-05
		An X-ray fluorescence imaging spectrometer based on silicon PIN photodiodes was designed and constructed for the Chang’E mission, the first lunar spacecraft, and will be in operation at a 200 km circular lunar orbit with one year lifetime. The X-ray fluorescence spectrometer consists of two silicon PIN photodiodes modules, each holds two low energy detector units to analyze the distribution of useful elements and to estimate the abundance on the moon, which is one of the objectives of the X-ray fluorescence spectrometer experiment. The low energy detector unit is 25 mm² , 500μm thick, with the energy band of 1-10 keV, and energy resolution of: ～5% at 5.9 keV. The ground verification tests of the X-ray spectrometer for Chang’E mission were introduced in the present paper. Taking the energy response matrix of the spectrometer as the foundation and using the direct demodulation technique and fundamental parameter method, the authors performed some quantitative and qualitative analysis of these scientific data which came from the ground verification tests, especially for Mg, Al and Si elements.
		2008 Vol. 28 (10): 2450-2454 [Abstract] ( 694 ) PDF (1207 KB) ( 490 )

	2455	Design of Hyperspectral Imaging System Based on LCTF
		ZHANG Dong-ying^1,2,HONG Jin¹,TANG Wei-ping¹,YANG Wei-feng¹,LUO Jun¹,QIAO Yan-li¹,ZHANG Xie³
		DOI: 10.3964/j.issn.1000-0593(2008)10-2455-04
		A new compact lightweight imaging system for hyperspectral imaging is described. The system can be thought of as the substitute for traditional mechanical filter-wheel sensor. The system is based on different techniques. It uses an electronic controlled LCTF(liquid crystal tunable filter) which provided rapid and vibrationless selection of any wavelength in the visible to IR range. The imaging system consisted of an optic lens, a CRI VariSpec LCTF and a Dalsa 1M30 camera. First the outline of this system setup is presented, then the optics designed is introduced, next the working principle of LCTF is described in details. A field experiment with the imaging system loaded on an airship was carried out and collected hyperspectral solid image. The images obtained had higher spectral and spatial resolution. Some parts of the 540-600 nm components of the 16-band image cube were also shown. Finally, the data acquired were rough processed to get reflection spectrum(from 420 to 720 nm) of three targets. It is concluded that the experiment has proved that the imaging system is effective in obtaining hyperspectral data. The image captured by the system can be applied to spectral estimation, spectra based classification and spectral based analysis.
		2008 Vol. 28 (10): 2455-2458 [Abstract] ( 502 ) PDF (949 KB) ( 841 )

	2459	Research on Calibration Transfer of NIR Filter Spectrophotometer
		CHEN Jia-wei¹,ZHOU Chang-le^1*,ZHANG Ye-hui²,XU Xiao-jie³,LIN Kun-hui⁴,YE Nan²
		DOI: 10.3964/j.issn.1000-0593(2008)10-2459-04
		Calibration transfer is an important issue to building up universal and comparable performance of spectrometer data in near infrared spectral analysis technology. Methods of slope/bias correction, direct standardization (DS), and target factor analysis (TFA) were used for the calibration transfer among five NIR filter spectrophotometers using maize as the samples. The effects of three calibration transfer methods were compared. The DS method has the best performance. The average calibration transfer difference of DS is 7.01%. This study also relates to the dependence of calibration transfer on the number of standardization samples. It was proven by experiment that the results of calibration transfer will be better as the number of samples is increased and will be generally stable when there are twenty standardization samples. However, the effect of calibration transfer attained by DS is degraded sharply when the number of standardization samples decreases to be below twenty. Moreover, slope/bias and TFA are not sensitive to the number of standardization samples.
		2008 Vol. 28 (10): 2459-2462 [Abstract] ( 1509 ) PDF (493 KB) ( 532 )

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