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2004 Vol. 24, No. 04 Published: 2004-04-26

光谱学与光谱分析

	385	Anti-Stokes Blue Fluorescence and Stark Splitting of ³H₄ in Pr³⁺:Y₂SiO₅(YSO)
		ZHANG Yan-liang，SUN Zhen-rong，LI Yu-qiong, DING Liang-en，WANG Zu-geng
		In the Pr³⁺-doped Y₂SiO₅，the population in ¹D₂ of Pr³⁺ can be transferred to ³P₀ state via non-radiative energy transfer by the laser eｘcitation in resonance with ³H₄→¹D₂，and we can experimentally study the Stark splitting of ³H₄ energy level via ³P₀→³H₄ anti-Stokes emission spectra. Because the anti-Stokes emission spectra can avoid the energy transfer between different crystallographic site ¹D₂ energy levels, the above splitting lines attribution is more accurate than the assignment via ¹D₂→³H₄ Stokes spectra by the laser eｘcitation in resonance with ³H₄→¹D₂. In addition，the character of the anti-Stoｋes fluorescence decay time was observed.
		2004 Vol. 24 (04): 385-387 [Abstract] ( 1025 ) PDF (977 KB) ( 385 )

	388	The Correction to Spectroscopic Diagnostics of Plasma Jet with Air Engulfment
		ZHAO Wen-hua，TANG Huang-zai，TIAN Ｋuo，ZHANG Guan-zhong
		A high-resolution, multi-line spectroscopic diagnostic system was used to detect two spectral line intensities in plasma jet simultaneously. The temperature profiles of an arc plasma jet issued into atmosphere and the concentrations of the air engulfment in the plasma jet were experimentally determined by means of the line absolute intensity method in this paper. The temperature profiles were obtained in two cases: the air engulfment in the plasma jet being considered and not being considered. The comparison of temperatures obtained in these two cases illustrates that the air engulfment in the plasma jet has considerable influence on spectroscopic diagnostic results. The neglect of the air engulfment brings on error in the temperature diagnostics with the absolute line intensity method. Especially in the region far away from the exit of the nozzle, the error is obvious.
		2004 Vol. 24 (04): 388-391 [Abstract] ( 1048 ) PDF (886 KB) ( 349 )

	392	Measurements of Diffusion Reflectance and Transmittance of Biological Tissues by Using CCD
		XU Tang, ZHANG Chun-ping, WANG Xin-yu, ZHANG Lian-shun, QI Sheng-wen, TIAN Jian-guo
		The CCD experimental setup and the CCD image analysis system that were developed by using C Language were presented, and the spatially resolved diffusion reflectance and transmittance of porcine muscle and fat were determined by using CCD experimental setup. The experimental results were compared with those of Monte Carlo simulations and those of the two models based on diffusion theory, and we found good agreement between theory and experiment for the range from the beam center to 12 mm. It is shown that the CCD experimental setup and the CCD image analysis system can be used to measure the spatially resolved diffusion reflectance and transmittance of biological tissues, and this work offers the experimental bases for noninvasive and fast measurement of optical parameters of biological tissues.
		2004 Vol. 24 (04): 392-395 [Abstract] ( 1018 ) PDF (871 KB) ( 370 )

	396	Double Light Beam Multi-Channel Analysis for Laser Induced Fluorescence Spectroscopy
		ZUO Hao-yi，CHENG Juan，HE Ying-hong, YANG Jing-guo^*
		The incident pulse intensity wave will cause the induced fluorescence wave, which will lead to the obvious error of experiment results. A double-light-beam correlation method between the incident laser and the fluorescence was used to decrease such error efficiently in the experiments. A good correlation factor over 0.9 was obtained by the method in the experiment of R6G fluorescence enhanced by SDS. The method is better than sampling-averaging method when the incident laser intensity has more waves.
		2004 Vol. 24 (04): 396-398 [Abstract] ( 945 ) PDF (853 KB) ( 349 )

	399	Determination of Levofloxacin by Chemiluminescence Method
		LIU Er-bao, WEI Hong-qing, HAN Su-qin, REN Rong-fang, ZHAO Shen-yan, KANG Jian-ping
		A novel chemiluminescence method for the determination of Levofloxacin is based on its enhancement effect on the reaction of luminol with H₂O₂. The calibration graph is linear over the range of 5.53×10^-11-2.21×10^-8 mol·L^-1 and the detection limit is 1.38×10^-11 mol·L^-1. The relative standard deviation (RSD) is 2.56% (n=9). The method has been successfully applied to the determination of Levofloxacin in capsule samples.
		2004 Vol. 24 (04): 399-401 [Abstract] ( 1454 ) PDF (899 KB) ( 486 )

	399	Determination of Levofloxacin by Chemiluminescence Method
		LIU Er-bao, WEI Hong-qing, HAN Su-qin, REN Rong-fang, ZHAO Shen-yan, KANG Jian-ping
		A novel chemiluminescence method for the determination of Levofloxacin is based on its enhancement effect on the reaction of luminol with H₂O₂. The calibration graph is linear over the range of 5.53×10^-11-2.21×10^-8 mol·L^-1 and the detection limit is 1.38×10^-11 mol·L^-1. The relative standard deviation (RSD) is 2.56% (n=9). The method has been successfully applied to the determination of Levofloxacin in capsule samples.
		2004 Vol. 24 (04): 399-401 [Abstract] ( 915 ) PDF (899 KB) ( 297 )

	402	Comparative Study of Room-Temperature Phosphorescence of 1-Bromonaphthalene Induced by Synergetic Effect of Nonionic Surfactants and β-Cyclodextrin
		DU Xin-zhen, Lü Wei-hua, DENG Hua-ling, HOU Jing-guo, GAO Jin-zhang, KANG Jing-wan
		Room-temperature phosphorescence of 1-BrN induced by a combination of OPE-10 and Triton X-100 with β-CD was comparatively studied. In terms of molecular size and dimensions of β-CD, the octyl group and phenyl group of OPE-10 and Triton X-100 were incorporated into the cavity of β-CD and the complexes with the stoichiometry of 1∶1 were formed. The removal of water molecules inside the cavity results in a greater apolar interior. By enhanced hydrophobic interaction, the cavity occupied by OPE-10 and Triton X-100 is able to further capture another 1-BrN and form close packing 1∶1∶1 ternary inclusion complexes with apparent stability constant of 1.09×10⁵ and 4.47×10⁵ L²·mol^-2, respectively. 1-BrN shows bright phosphorescence at room temperature due to the greater rigidity in the limited space and the favorable microenvironment shielding from external quenchers and quenching effect on the fluorescence of the phenyl group of OPE-10 and Triton X-100 within the same cavity. In the case of Triton X-100, the larger tert-octyl group better shields off external quenchers such as dissolved oxygen and iodide ion. Energy transfer from the excited phenyl group of Triton X-100 to adjacent 1-BrN acceptor was observed.
		2004 Vol. 24 (04): 402-406 [Abstract] ( 1472 ) PDF (902 KB) ( 347 )

	407	Study on Luminescence Property of Nanocrystalline Y₂O₃:Eu³⁺ Red Phosphor
		ZHANG Shi-ying¹, WEI Kun²
		The nanocrystalline of Y₂O₃:Eu³⁺ red phosphor has been studied. The result shows that the maximum excitation spectrum of Y₂O₃:Eu³⁺ peaks at λ_ex=252.6 nm, while the maximum emission spectrum peaks at λ_em=613.4 nm under 254 nm excitation. The luminescence intensity increases with the growth of agglomerate size, adding assistant melting agent and increasing the sintering temperature. The hanging-bonds and the defects on the surface of nanocrystalline Y₂O₃:Eu³⁺ particle were removed and its luminescence intensity was increased by the coating process.
		2004 Vol. 24 (04): 407-410 [Abstract] ( 959 ) PDF (880 KB) ( 307 )

	411	Evidence of Discontinuous Property of Water: Study of Infrared Spectra at High Temperature and High Pressure
		ZHENG Hai-fei¹，SUN Qiang¹，Andy Shen²，Zhang Ming²
		The infrared spectra measurement for water has been conducted and investigated at the temperatures of 35-350℃ and the pressures of 1.7-2.7 GPa by using Hydrothermal Diamond Anvil Cell(HDAC). The result shows that the peak frequency and the full width at half height of the stretching vibration of water increases and decreases respectively with increasing pressure. It also shows that there is a discontinuousness at the pressure of 2.1 GPa, that is, the frequency and the full width at half height of the peak have an obvious and discontinuous change from the pressures below and above 2.1 GPa, indicating that the property of water is discontinuous at high pressure. This is consistent with the discontinuous property of electrical conductivity from the previous studies for pure water and NaCl aqueous solution. Also it is consistent with the relationship between the temperature and the pressure of the dehydration of the bearing water minerals at about 2.0 GPa. It is expected that such a discontinuous property of water will play an important role on the minerals and rocks in the deep lithosphere and further detailed study needs to be done for them.
		2004 Vol. 24 (04): 411-413 [Abstract] ( 1042 ) PDF (857 KB) ( 487 )

	414	Application of the SIMCA Method to Cancer Diagnosis with Fourier-Transform Infrared Spectroscopy
		LI Qing-bo¹, YANG Li-min¹, LING Xiao-feng², WANG Jian-sheng³, ZHOU Xiao-si², SHI Jing-sen³, WU Jin-guang^1*
		Early detection of cancer with mid-IR spectroscopy is a focal topic in the biomedical engineering field. A method was investigated for the detection of malignant tissues with Fourier Transform Infrared spectroscopy (FTIR) and chemometrics method of pattern recognition. Spectral pretreatment and wavelength range selection were studied to improve the classification effect of soft independent modeling of class analogy (SIMCA). To distinguish the malignant tissues from normal ones, sixty-three stomach tissue samples were investigated in this paper. Forty samples were chosen randomly as calibration set and the rest twenty-three samples as predicting set. The correctness of classification was 91%, which was satisfactory. This approach was proved to be a reliable and practicable method for cancer diagnosis. Benign and malignant tissues can be identified by the combination of FTIR spectroscopy and chemometrics, which is able to be developed as a rapid diagnosis method of cancer.
		2004 Vol. 24 (04): 414-417 [Abstract] ( 1060 ) PDF (879 KB) ( 334 )

	418	The Research on the Surfacial Modification of Organic High-Performance Kevlar Fiber
		ZHENG Yu-ying，FU Ming-lian, CAI Wei-long, WANG Can-yao, WANG Liang-en^*
		In the paper the authors tried to use chemical disposal to bring the activity mass onto the surface of Kevlar fiber with the purpose of surface graft modification. In the paper the authors used the FTIR spectra to discuss the graft of toluene-2,4-diisocyanate onto Kevlar fiber. The authors studied and analysed the effect of hydrolytic time on the content of —O—H group of the production, and the effect of hydrolyzation and hexyl-lactam steadily disposing on the graft reaction. The result showed that the content of —O—H group increased after hydrolyzation, it’s helpful for the graft reaction, and hexyl-lactam steadily disposing made the graf product more stable. Through the research the authors came to the conclusion that by bringing some activity masses onto the fiber surface the authors can improve the interface of fiber/resin effectively.
		2004 Vol. 24 (04): 418-420 [Abstract] ( 1812 ) PDF (896 KB) ( 344 )

	421	Preparation and Spectra of the Complexes of the First Series Transition Metals with Diphenic Acid
		WU Ai-zhi¹，WANG Jian-jun²，REN Yan-wei¹，CHEN Jing¹，LI Jun¹，ZHANG Feng-xing¹
		The ligand diphenic acid has been synthesized and the corresponding compleｘes of transition metal Co, Ni and Mn with diphenic acid have been prepared and characterized by the elementary analysis, IR spectra and ultraviolet-visible spectra. The results of IR show that the ν_as and ν_s of —CO^-₂ in the complexes are lower than those of ligand diphenic acid, which can be explained by the coordinating between metal and ligand. In addition, compared with the complex IR spectra, the IR spectra of ligand became complicated due to the ligand polymerization through hydrogen bond. The UV-Vis spectra show that the ligand has three absorption peaks at 288, 273 and 270 nm，respectively, and these are slightly shifted in the complexes. Because the metal d-d absorption is weak, only in Co(C₁₄H₈O₄)·2H₂O there is a d-d absorption at 537 nm.
		2004 Vol. 24 (04): 421-423 [Abstract] ( 1561 ) PDF (872 KB) ( 305 )

	424	In situ FTIR Reflection Spectroscopy of Molecule Probe Studies of Enhanced IR Adsorbtion and Response Rate to Potential on Pd Nanoparticles Confined
		JIANG Yan-xia，CHEN Zuo-feng，DING Nan，SUN Shi-gang
		Palladium nanoparticles (nm-Pd) were synthesized in the supercages of Y-zeolite via “ship-in-a-bottle". Polyvinyl chloride (PVC) and Nafion were used as bonds respectively to prepare zeolite-modified electrode loading nm-Pd by mixed coat and steped coat. IR optical properties of adsorbed CO (CO_ad) were studied by in situ electrochemical FTIR spectrum on zeolite-modified electrode surface prepared by different bond and coating method. Results display the same enhanced IR absorption of CO_ad and different response rate to potential as well as the ability of electron transfer on PVC and Nafion film. Time-dependent ν_{CO_B} shift was studied for obtaining the information of response rate to potential and electron transfer ability of PVC and Nafion coating. A larger potential lag on PVC coating electrode and a very small potential lag on Nafion coating film were found, showing that different bond and prepared method affect response rate to potential of zeolite-modified electrode. These findings are significant in understanding special optical performance and the electron transfer mechanism of zeolite-modified electrode.
		2004 Vol. 24 (04): 424-426 [Abstract] ( 1587 ) PDF (856 KB) ( 450 )

	427	Study on the Identification of Standard and False BanXia by Two-Dimensional Infrared Correlation Spectroscopy
		SUN Su-qin, ZHOU Qun, LIU Jun, HUANG Hao
		Standard BanXia (Pinellia ternata (Thumb.) Breit) and false Shui BanXia (Typhonium flagelliforme (Lodd.) Blume) were identified fast and nondestructively by Fourier Transform Infrared Spectroscopy (FTIR) combined with two-dimensional correlation spectroscopy (2D) in this paper. The two kinds of BanXia wree similar to each other in one-dimensional IR spectra but quite different in 2D FTIR spectra. In the range between 1 220 cm^-1 and 1 700 cm^-1, one strong autopeak was aroused by BanXia around 1 410 cm^-1 in synchronous spectrum, whereas three autopeaks not only at 1 460 cm^-1 but also at 1 540 cm^-1 and 1 680 cm^-1 aroused by Shui BanXia. Also in the range between 940 cm^-1 and 1 220 cm^-1, three autopeaks were shown at 980, 1 080 and 1 150 cm^-1 in synchronous spectrum of BanXia, but only two autopeaks at 1080 and 1 150 cm^-1 in synchronous spectrum of Shui BanXia. It is proved that the 2D FTIR could serve in distinguishing standard and false medicinal herbs due to its unique advantages such as enhanced resolution and increased identification ability. Therefore, the rapidity and accuracy of 2D FTIR spectroscopy make it a powerful and new approach to evaluating the medicinal herbs.
		2004 Vol. 24 (04): 427-430 [Abstract] ( 1048 ) PDF (2123 KB) ( 429 )

	431	Solid/Liquid Interfacial In Situ IR Microscope and Step-Scan Time-Resolved FTIR Spectroscopy and Applications in Studies of Nanomaterials
		SUN Shi-gang, GONG Hui, ZHOU Zhi-you, CHEN Sheng-pei, CHEN You-jiang, SI Di, LI Jun-tao
		Electrochemical in situ microscope IR reflection spectroscopy and step-scan time-resolved FTIR reflection spectroscopy were established by using an IR-plan advantage microscope and a Nexus 870 FTIR instrument, and a home-made signal synchronizer that harmonizes electrode polarization potential and step-scan spectral data collection sequence. These new techniques have been applied in studies of particular IR properties of 2-dimensional nanomaterials. By applying a treatment of fast potential cycling with different time (τ), a set of nanostructured Pt microelectrodes were prepared. CO adsorption was employed as a probe reaction together with in situ developed microscope FTIR spectroscopy. The results illustrated the variation of abnormal IR features with the nanostructure and the thickness (i.e., the size) of film formed on Pt microelectrode, i.e., following the increase of τ in fast potential cycling treatment, the direction of CO band was turned from absorption to antiabsorption direction, and the intensity and the width of CO band were increased. By taking the advantage of the abnormal infrared effects of nanostructured Pt microelectrode, the sensitivity of in situ IR reflection spectroscopy has been significantly improved, and spectra of time-resolution as fast as 50 μs have been recorded at solid/liquid interfaces. The current studies demonstrated not only the success of development of new techniques of in situ IR spectroscopy, but also the exploitation of the established techniques in studies of nanomaterials.
		2004 Vol. 24 (04): 431-433 [Abstract] ( 486 ) PDF (1312 KB) ( 355 )

	434	FTIR Investigation of New Polymer Solid Electrolytes
		YANG Shu-ting，CHEN Hong-jun，DONG Hong-yu, JIA Jun-hua，CAO Zhao-xia
		The conductivity of the porous polymer solid electrolyte blended with PVDF and PMMA，which was made by a micro-wave hot-cross-linking method，reached 2.05×10^-3 S·cm^-1 at room temperature. The polymer solid electrolyte was analyzed and investigated by FTIR. The results show that the PVDF, PMMA and LiClO₄ in the polymer solid electrolyte were not simply blended, but certain kind of effect eｘisted which was strengthened only when the polymer solid electrolyte came into being.
		2004 Vol. 24 (04): 434-436 [Abstract] ( 1025 ) PDF (883 KB) ( 776 )

	437	Synthesis and Spectral Properties of Tailed Sercine Tetraphenylporphyrin Cobalt Complex
		NI Chun-lin¹ ，ZHOU Chun-qiong¹，ZHOU Yu¹，HE Zhi-ke², YUAN Liang-jie²
		A new tailed sercine tetraphenylporphinatozinc, 5-(p-butoxyphenyl-10,15,20-trichlorophenyl)porphine and cobalt complex(Co[Ser-TPP]) was synthesized and characterized by elementary analysis, UV, IR , ¹HNMR and Raman spectra. The electronic absorption spectra of axial coordination reactions of Co[Ser-TPP] with pyridine, 4-methylpyridine, 4-aminopyridine, 4，4-bipyridine，imidazole，1-methylimidazole and 2-methylimidazole were inverstigated. The results showed that the changes of electronic absorption spectra of Co[Ser-TPP] could be attributed to the axial coordination reactions of Co[Ser-TPP] with pyridine and imidazole series.
		2004 Vol. 24 (04): 437-439 [Abstract] ( 1582 ) PDF (845 KB) ( 417 )

	440	The IR Spectra of Complexes of Fiber Containing Amidoxime Groups with Fe(Ⅲ)，Co(Ⅱ)，Ni(Ⅱ)，Cd(Ⅱ) and Hg(Ⅱ)
		WU Zhi-chuan，TAO Ting-xian，WANG Xue-qian
		By the reaction Fe³⁺，Co²⁺，Ni²⁺，Cd²⁺ and Hg²⁺ with fiber containing amidoxime groups modified polyacrylonitrile fiber(AOCF), a series of coordinate complexes-AOCF-Fe(Ⅲ)，AOCF-Co(Ⅱ)，AOCF-Ni(Ⅱ)，AOCF-Cd(Ⅱ) and AOCF-Hg(Ⅱ) were prepared in acid medium. The fibers containing amidoxime groups with and without metal ions were taken for FTIR in the range of 4 000-400 cm^-1. Their major bonds were assigned and compared. The results showed that in all complexes some bands (ν_C—N，ν_CN and ν_N—O) were strengthened and a certain shift to higher wave number took place in the FTIR spectra with 4-21 cm^-1 shifts observed. The amidoxime groups and metal ions were bonding with coordinated bond.
		2004 Vol. 24 (04): 440-443 [Abstract] ( 242 ) PDF (906 KB) ( 350 )

	444	Determination of Chemical Components in Tobacco Leaves by FT-NIR Spectroscopy: Study of Influence of Spectral Ranges on PLS Modeling
		MA Xiang, WANG Yi, WEN Ya-dong, XIE Li-hua, CUI Yong-he, ZHANG Jing, LI Hong-bo
		NIR spectra of tobacco leaves were measured in the range of 12 000 to 4 000 cm^-1 using a Bruker MPA FT-NIR spectrometer. PLS calibration models were developed and optimized for rapid quantitative analysis of nicotine alkaloids, total sugar and total nitrogen contents in tobacco leaves. It was found that the prediction errors of the same component were significantly different when different spectral regions were used for PLS modeling, and the best spectral range is also different for each component. The study demonstrated that wavelength range selection is one of the important keys to optimizing the NIR calibration model. In this study it was found that the optimized calibration ranges for nicotine alkaloids, total sugar and total nitrogen are 9 500-4 231.2 cm^-1, 7 502.1-4 246.7 cm^-1 and 7 502.1-4 597.7 cm^-1, respectively. The Root Mean Square Error of Cross Validation (RMSECV) of the three calibration models are 0.081 5, 0.808 and 0.056, respectively.
		2004 Vol. 24 (04): 444-446 [Abstract] ( 1089 ) PDF (838 KB) ( 371 )

	447	Application of Near-Infrared Spectroscopy to Agriculture and Food Analysis
		WANG Duo-jia^1，2，ZHOU Xiang-yang¹，JIN Tong-ming¹，HU Xiang-na¹，ZHONG Jiao-e¹，WU Qi-tang²
		Near-Infrared Spectroscopy (NIRS) is the most rapidly developing and the most noticeable spectrographic technique in the 90’s(the last century). Its principle and characteristics were explained in this paper, and the development of NIRS instrumentation, the methodology of spectrum pre-processing, as well as the chemical metrology were also introduced. The anthors mainly summarized the applications to agriculture and food, especially in-line analysis methods，which have been used in production procedure by fiber optics. The authors analyzed the NIRS application status in China, and made the first proposal to establish information sharing mode between central database and end-user by using network technology and concentrating valuable resources.
		2004 Vol. 24 (04): 447-450 [Abstract] ( 2028 ) PDF (840 KB) ( 877 )

	451	Effect of Eu(Pr) Substitution at Ba Sites on Microstructure and Superconductivity in EuBa₂Cu₃O_7-δ Ceramics
		PENG Zhen-sheng¹, WANG Zhi-he²
		Ceramics of Eu_1+xBa_2-xCu₃O_7-δ with x=0.0, 0.05, 0.1, 0.2, 0.3, 0.4，0.5 and EuBa_2-xPr_xCu₃O_7-δ with x=0.0, 0.05, 0.1, 0.2, 0.3，0.4 have been synthesized and investigated by X-ray diffraction, resistivity, and Raman spectroscopy. The results show that the transition of crystal structure from orthorhombic to tetragonal occurs and the critical temperature decreases with the increase in doping concentration x. The Raman spectra show that the frequency of the Cu(1)—O(4) stretching mode and the Cu(2)—O(2, 3) out-of-phase mode shifts to higher wave number with increasing doping concentration x.
		2004 Vol. 24 (04): 451-454 [Abstract] ( 915 ) PDF (925 KB) ( 292 )

	455	Research on Conformational Changes of Trypsin in Different Concentrations of GuHCl by Fluorescence Spectra
		ZHANG Jing
		The existing of intermediate in the process of protein unfolding is necessary for studying the kinetic folding and unfolding pathway of protein. With trypsin as a model protein, the conformational changes of trypsin in the presence of different GuHCl concentrations were investigated by using fluorescence spectra (FR), and compared with the activity recovery of denatured trypsin. It was found that the maｘimum wavelength of FR of trypsin increases with the concentration of GuHCl increasing, and the maｘimum wavelength of FR of trypsin reaches the maｘimum when the concentration of GuHCl is 2 mol·L^-1，and then，the maｘimum wavelength of FR of trypsin decreases with the concentration of GuHCl increasing． There exists a intermediate state in the presence of low concentration of GuHCl. The conformation of the intermediate is different from the native and unfolding states. The maximum wavelength of FR of the intermediate is the maximum, and fluorescence intensity is the highest, while the bioactivity recovery is the lowest. The reasons for these were studied with the knowledge of the molecular structure.
		2004 Vol. 24 (04): 455-458 [Abstract] ( 992 ) PDF (887 KB) ( 724 )

	459	Simultaneous Determination of Four-Components in Mixed Herbicides by Modified Target Factor Analysis-UV Spectrophotometry
		LIU Wei-ping，CAI Xi-yun，XU Zhong-jian，LI Ke-bin，XU Dong-mei
		In this paper, the modified target factor analysis-UV spectrophotometry method is established for simultaneous determination of paraquat CL，cyanzine，metolachlor and atrazine in mixed herbicides. The experimental results show that the recovery of each herbicide by MTFA is more accurate than by TFA. The recovery of paraquat CL ranges from 99.47% to 102.02%, of cyanzine 98.93%-102.75%, of metolachlor 98.13%-102.65% and of atrazine 97.42%-103.20%, with SD for the four components to be 1.16%, 1.84%, 1.84% and 2.55% respectively. All in all, the modified target factor analysis method can be used to determine accurately mixed herbicides which exhibits intrinsic interaction among components.
		2004 Vol. 24 (04): 459-462 [Abstract] ( 565 ) PDF (902 KB) ( 337 )

	463	Simultaneous Determination of Trace Amounts of Iron(Ⅱ), Copper(Ⅰ) and Cobalt(Ⅱ) in Aloe by Second Derivative Peak Area Spectrophotometry
		LI Hong-mei, SU Li-hong, CHEN Rui-zhan
		A new method for simultaneous determination of iron(Ⅱ), copper(Ⅰ) and cobalt(Ⅱ) was established by second derivative peak area spectrophotometry in chromogenic system of 1,10-phenanthroline. The method could avoid disturbing by some ions. The accuracy and sensitivity were improved. There is a linear relationship in the range of 0.0-8.5 μg·mL^-1 for Fe(Ⅱ); of 0.0-7.3 μg·mL^-1 for Cu(Ⅰ); and of 0.0-5.9 μg·mL^-1 for Co(Ⅱ). The method has been applied to simultaneous determination of iron(Ⅱ), copper(Ⅰ) and cobalt(Ⅱ) in aloe with satisfactory results. The average recovery is 98.6%-102% and the RSD is 0.1%-0.2%. There is no remarkable difference between these results and those of ICP-AES method.
		2004 Vol. 24 (04): 463-465 [Abstract] ( 1467 ) PDF (847 KB) ( 382 )

	466	Kinetic Study on Collagen Mineralization by Ultraviolet Absorption Spectra
		HUANG Zhao-long^1，2，ZHANG Wei¹，CUI Fu-zhai^1*
		The mechanism of collagen mineralization was studied by ultraviolet photometry method. The reaction solution was determined using ultraviolet-visible spectrophotometer by the method of repeat scanning wavelength. The recorded curves provided the spectroscopic and kinetics information of the reaction solution. It was found that the wave trough appeared on the step-like kinetic curve of mineralization of collagen. With the increase in initial concentration of calcium phosphate, the wave trough intensity increased and its position moved forward. The curves of scanning wavelength at different time showed different patterns. By analyzing the change in scanning wavelength curves, and the X-ray diffraction spectra of specimens before and after the wave trough position (the specimens were obtained by quickly freezing the solution and freeze-drying)，it was suggested that gelation and phase separation occurred during the process of collagen mineralization. Collagen molecules loading calcium were cross-linked by newly formed DCPD in a “point to point" mode. The phase separation occurred in the fluid-filled space and the wave trough occurred in the ultraviolet absorption spectrum. Based on the mechanism the varieties of phenomena in the ultraviolet absorption spectrum during collagen mineralization were explained.
		2004 Vol. 24 (04): 466-469 [Abstract] ( 1444 ) PDF (928 KB) ( 400 )

	470	The UV Spectra of Heterocyclic Selenium Compounds and Metallic Ions in Ethanol Solutions
		ZHENG Wen-jie^1，2，ZENG Xin-hua¹，YANG Fang¹，HE Hong-zhi¹，BAI Yan¹，LI Yi-qun¹，GUO Bao-jiang²
		The UV spectra of heterocyclic selenium compounds and metallic ions in ethanol solutions were investigated in this paper. Heterocyclic selenium compounds included 4,5-benzopiazselenole (BP), anthra [1, 2-c][1, 2, 5] selenadiazol-6, 11-dione(AS), piazselenole (PS), 5-methyl- piazselenole (MP), 4,6-diBr- piazselenole(DBP) and 4,4＇-dipiazselenole (DP). Several important results were obtained: (1)The absorption wavelengths λ of piazselenoles were bathochromic and their ε increased with the increased conjugative effect; (2) Sn(Ⅳ)enhanced the UV absorption of piazselenoles at higher frequencies with the ratio of n_Sn(Ⅳ)/n_PS at 1; (3) The UV absorption of BP was obviously enhanced by Sn(Ⅳ)，Cd(Ⅱ)，Cr(Ⅲ)，Sb(Ⅲ)，Fe(Ⅲ)，Fe(Ⅱ)and Cu(Ⅱ), while Zn(Ⅱ)had little effect on the UV of BP;(4) The UV absorption of piazselenoles at higher frequencies was enhanced by Sn(Ⅳ)，Cr(Ⅲ) and Sb(Ⅲ), and the peak of MP at 233 nm was blunt in MP-M solutions.
		2004 Vol. 24 (04): 470-473 [Abstract] ( 1123 ) PDF (856 KB) ( 419 )

	474	Determination of Trace Amounts of Mercury by Spectrophotometric Method with 2-Hydroxy-5-Sulfobenzenediazoaminoazobenzene
		CAO Xiao-an, CHEN Yong-heng, LIN Hua-min^*
		The chromogenic reaction of 2-hydroxy-5-sulfobenzenediazoaminoazobenzene (HSDAA) with mercury was studied. In the presence of Triton X-100 and in a borax-buffer solution of pH 10.30, mercury(Ⅱ) reacted with HSDAA to form a stable orange-red complex with molar radio of 1∶2. The apparent molar absorptivity was 1.67×10⁵·L mol^-1·cm^-1 with the maximum absorption wavelength of 519 nm. Beer’s law was obeyed in the concentration range of 0-600 μg·L^-1 for Hg(Ⅱ). The method was applied to the determination of trace amounts of mercury in water with satisfactory results.
		2004 Vol. 24 (04): 474-476 [Abstract] ( 1019 ) PDF (844 KB) ( 358 )

	477	Analytical Performance of CID-ICP-AES for Alkaline-Earth Elements
		XIN Ren-xuan
		The plasma spectrometer composed of Charge Injection Device(CID) and echell grating has excellent analytical performance. In the present paper, analytical performance of CID-ICP-AES was studied for alkaline-earth elements. The results showed that the detection limits were 0.000 03 mg·L^-1 for Ca, 0.000 2 mg·L^-1 for Be, Sr and Ba, and 0.000 1 mg·L^-1 for Mg. The self-absorption coefficient was less than 1 for all alkaline earth elements and 0.7-0.8 for Ca and Mg. The linear range of the determination was 10⁴-10⁵. The photometric precision was RSD＝1% when concentration was less than 1 mg·L^-1.
		2004 Vol. 24 (04): 477-480 [Abstract] ( 1563 ) PDF (849 KB) ( 280 )

	481	Study on Trace Elements in Wuji Baifeng Wan and Its Preparation
		ZHANG Qi-feng¹, FAN Mei-mei², WU Yi-yang¹, CHENG Shao-zhang¹, LI Li¹
		We studied the amount of trace elements in the traditional Chinese medicine Wuji Baifeng Wan by cluster analysis, and found that the clustering results of the trace elements in Twelve Wuji Baifeng Wan(the southern preparation) and Wuji Baifeng Wan(the northern preparation) were not in the same group. In this paper, AAS was used for the determination of trace elements in Wuji Baifeng Wan and its preparation. The results showed that there were great differences between Twelve Wuji Baifeng Wan and Wuji Baifeng Wan, while the difference between Chinese Taihe Chicken and Native Chicken was slight. So we drew a conclusion that the great differences between Twelve Wuji Baifeng Wan and Wuji Baifeng Wan were caused by other medicine, not in its preparation.
		2004 Vol. 24 (04): 481-483 [Abstract] ( 1903 ) PDF (833 KB) ( 478 )

	484	Determination of Lead in Human Hair Using Flame Atomic Absorption Spectrometry and Nebulization Assisted with Hydride Generation
		GAN Wu-er, ZHANG Zhao-xiang, SU Qing-de, SHI Wei-wei
		Lead in human hair was determined using flame atomic absorption spectrometry and nebulization assisted with hydride generation and K₃Fe(CN)₆-HCl system. The method is simple and rapid for operation. The performance of the method was compared with conventional flame atomic absorption spectrometry for direct determination of lead. An improved sensitivity by 13.4 fold was obtained compared to the conventional FAAS for direct determination of lead. The effects of several experimental parameters on the lead determination were optimized, and the influences of interference ions on the determination were investigated. The limit of detection (3σ) of the proposed method was 2.8 μg·L^-1. The method has been applied to the determination of human hair sample satisfactorily with a recovery of 96%-99%.
		2004 Vol. 24 (04): 484-486 [Abstract] ( 394 ) PDF (922 KB) ( 327 )

	487	Determination of Arsenic in As₂O₃-Treated Esophagoscope-Transplant Mouse Tissue by Graphite Furnace Atomic Absorption Spectrometry
		ZHANG Yuan，LUO Wen-hong，LI Hui，SHEN Zhong-ying
		As₂O₃ was injected into tumour tissue of esophagoscope-transplant mouse. The concentration of As diffusing into other tissues was investigated. A method was proposed for the determination of As in tissue samples of mouse by graphite furnace atomic absorption spectrometry. After wet digestion (water-bath at 80℃) with 2∶1∶1(φ) of HNO₃-H₂SO₄-HClO₄, the digested tissue samples of mouse were diluted with 0.2% Triton X-100-0.4% AgNO₃. The matrix-matching calibration curve of non-interference was established with standard addition method. The relative standard deviation was 3.2％-8.7%. The limit of detection was 1.57 μg·L^-1. The recoveries were 81.７％-105％ Arsenic concentrations in mouse liver, kidney, brain, left-chest, and right-chest were determined after injection of arsenic at different times.
		2004 Vol. 24 (04): 487-490 [Abstract] ( 1418 ) PDF (887 KB) ( 289 )

	491	Speciation Analysis of Arsenic in Traditional Chinese Medicines by Hydride Generation-Atomic Fluorescence Spectrometry with Ion Exchange Resin Separation
		YANG Li-li¹, GAO Li-rong²，ZHANG De-qiang^3*
		A method for the determination of arsenic species (arsenide, arsenate) in traditional Chinese medicines using hydride generation atomic fluorescence spectrometry(HG-AFS) with ion exchange resin separation has been studied. The ion exchange resin was used to separate the arsenide and arsenate, and the separation conditions were investigated. The experimental conditions that influence the fluorescence intensity and the reduction of arsenic(Ⅴ) were investigated and optimized, and the influence of foreign ions and its elimination were studied. The proposed method was applied to the determination of arsenic species in water leachate of traditional Chinese medicines. A detection limit of 89.1 ng·mL^-1 and a recovery range of 91.1％—109.3% were obtained.
		2004 Vol. 24 (04): 491-494 [Abstract] ( 1548 ) PDF (895 KB) ( 351 )

	495	Characterizing Methods of Structure and Character for Silane Film on Metal Surface
		XU Yi¹，TANG Shou-yuan²，ZHANG Xiao-feng²
		Surface analysis methods for structure and characters of silane film on metal surface were reviewed in this paper. Many instrumental methods, such as XPS, ATR-FTIR, RA-FTIR, SIMS, ellipsometry, EIS and so on, were applied to characterizing different silane films on different metal base surfaces. According to the research on silane film formation mechanism, silane film state, silane film structure, silane film thickness, silane film corrosion resistance and so on, factors which affect silane film properties were discussed. Various parameters were proposed for characterizing silane film. Merits and defects of various surface analysis methods were expressed. In order to acquire more chemical information, different surface analysis methods can be combined for detection at the same time. Regarding the results from these detection and analysis, new silane treatment technique for metal surface can be optimized and improved greatly. Some other kinds of surface analysis methods were also mentioned in this paper. More advanced researches in the field of silane film analysis on metal surface were prospected.
		2004 Vol. 24 (04): 495-498 [Abstract] ( 932 ) PDF (882 KB) ( 314 )

	499	XPS Spectra of Langmuir-Blodgett Films and Their Electroluminescence
		OUYANG Jian-ming¹，BAI Yu¹，YU Gui²，WANG Shi²，LIU Yun-qi²，LI Yong-fang²，ZHU Dao-ben²
		The coordination of monolayer of amphiphilic ligands, N, N-bis(8-quinolinyl)alkyl propanediamide, H₂A(alkyl=dodecyl, H₂A¹²; hexadecyl, H₂A¹⁶) with Cu^2＋ at air-water interface was investigated by X-ray Photoelectron Spectroscopy (XPS) and UV-Ｖis spectra.The collapse pressure of the monolayers of H₂A¹² and H₂A¹⁶ increased from 12.5 and 15.6 mN·m^-1 to 28.0 and 33.8 mN·m^-1 after their coordination with Cu^2＋ ions, respectively. XPS indicated that the coordination ratio between H₂A and Cu^2＋ was 1∶1. The binding energies of Cu2p were 935 and 955 eV. The Langmuir-Blodgett(LB) films of H₂A¹² and H₂A¹⁶ can be used as transporting materials in three-layer electroluminescence devices: ITO/TPD/LB films/Alq₃/Al. The driving voltages were 6.5 and 7.5 V, the maximum luminances were 621 and 201 cd·m^-2, respectively.
		2004 Vol. 24 (04): 499-501 [Abstract] ( 1320 ) PDF (880 KB) ( 361 )

	502	Surface and Interface Analysis for Copper Phthalocyanine (CuPc) and Indium-Tin-Oxide (ITO) Using X-Ray Photoelectron Spectroscopy (XPS)
		GAO Zhao-yang¹, ZHANG Xu²，ZHENG Dai-shun¹, HE Xi-yuan¹, ZHANG Fu-jia^1*
		Indium-tin-oxide (ITO) coated glass has been widely used as a hole injection electrode for organic light-emitting devices (OLEDs), but the work function of ITO film usually mismatches the highest occupied molecular orbital (HOMO) of the hole transport materials. Copper phthalocyanine (CuPc) has been used as a hole injection buffer to enhance the hole injection from ITO to the hole transport layer. A thin CuPc layer was thermally evaporated onto the ITO-coated glass substrate, and the surface and interface electron states of the CuPc/ITO close contact were measured and analyzed by X-ray photoelectron spectroscopy (XPS) technology. Results show that, in CuPc molecule, copper atom has a valence of +2 and interacts with nitrogen atoms through coordinate bonds. There are two kinds of carbon atoms: eight carbon atoms bonding with two nitrogen atoms and other 24 carbon atoms with an aromatic hydrocarbon character. The nitrogen atoms are also in two kinds of chemical environment: four nitrogen atoms only bond with two carbon atoms forming CNC bonds, and other four nitrogen atoms not only bond with carbon atoms but also bond with copper atom through coordinate bonds. Argon ion beam sputtering was used to study the interface characteristics of the CuPc/ITO contact. As sputtering time increases, the peaks of C 1s and N 1s spectra gradually become weaker, the peaks of Cu 2p, O 1s, In 3d and Sn 3d spectra get stronger. The core-levels of C 1s, N 1s, O 1s, In 3d and Sn 3d spectra all have chemical shifts towards higher or lower binding energy, but their behavior are different.
		2004 Vol. 24 (04): 502-506 [Abstract] ( 1735 ) PDF (972 KB) ( 340 )

	507	Automated Classification of Celestial Spectra Based on Support Vector Machines
		QIN Dong-mei¹, HU Zhan-yi¹, ZHAO Yong-heng²
		The main objective of an automatic recognition system of celestial objects via their spectra is to classify celestial spectra and estimate physical parameters automatically. This paper proposes a new automatic classification method based on support vector machines to separate non-active objects from active objects via their spectra. With low SNR and unknown red-shift value, it is difficult to extract true spectral lines, and as a result, active objects can not be determined by finding strong spectral lines and the spectral classification between non-active and active objects becomes difficult. The proposed method in this paper combines the principal component analysis with support vector machines, and can automatically recognize the spectra of active objects with unknown red-shift values from non-active objects. It finds its applicability in the automatic processing of voluminous observed data from large sky surveys in astronomy.
		2004 Vol. 24 (04): 507-511 [Abstract] ( 1061 ) PDF (906 KB) ( 727 )

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