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2006 Vol. 26, No. 12 Published: 2006-12-26

光谱学与光谱分析

	2161	Measurement of Rotational and Vibrational Temperatures in Arc Plasma Based on the First Negative System of N^＋₂(B²∑^＋_u→X²∑^＋_g)
		TU Xin^1,2,YAN Jian-hua^1*,MA Zeng-yi¹,LI Xiao-dong¹,PAN Xin-chao¹,CEN Ke-fa¹,CHERON Bruno²
		The molecular emission spectra lines of the first negative system N^＋2(B²∑^＋_u→X²∑^＋_g) are frequently observed in the plasma source containing nitrogen. (0-0) and (1-1) N⁺₂ first negative system molecular bands around 391.4 nm can be used to the measure the rotational and vibrational temperatures in a DC argon-nitrogen plasma at atmospheric pressure. The proposed method based on the comparison between this experimental emission spectrum and the computer simulated one is presented. The effect of the apparatus function, vibrational temperature and rotational temperatures on the line structure of numerical simulated spectrum is discussed. The results show that the electron temperature, rotational temperature, vibrational temperature and kinetic temperature of plasma arc are almost the same, which can be interpreted as that DC argon-nitrogen arc plasma at atmospheric pressure is in LTE under their experimental conditions.
		2006 Vol. 26 (12): 2161-2165 [Abstract] ( 2275 ) PDF (638 KB) ( 475 )

	2166	The Temperature Field Partition for Primary Spectrum Pyrometry
		FU Tai-ran¹, CHENG Xiao-fang², ZHONG Mao-hua¹, YANG Zang-jian²
		In the applications of primary spectrum pyrometry to the detection of temperature, through the analysis of the coupled multi-channel signals, the authors investigated the necessary condition under which all temperatures can be measured simultaneously and effectively. For the case not satisfying the above condition, the authors put forward the concept of temperature field partition. And the process of the temperature field partition is detailedly described, and the simulation results are given. Ths study is significative for the applications of primary spectrum pyrometry.
		2006 Vol. 26 (12): 2166-2168 [Abstract] ( 2483 ) PDF (283 KB) ( 471 )

	2169	Investigation on the Photoconductive Properties of MEH-PPV/CdSe Nanocomposite Devices
		TANG Ai-wei, TENG Feng^*, GAO Yin-hao, JIN Hui, LIANG Chun-jun, XU Zheng, WANG Yong-sheng
		Photoconductive properties of the composite devices made up of cadmium selenide nanocrystals and polymer poly[2-methoxy-5-(2′-ethylhexyloxy-p-phenylenevinylene)](MEH-PPV) were investigated. The photocurrent action spectrum for a nanocomposite device corresponded to the absorption of MEH-PPV and CdSe nanocrystals, indicating that the absorption of the CdSe nanocrystals and MEH-PPV contributed to the photocurrent. The photocurrent was attributed to the exciton dissociation and charge transfer between the interface of CdSe nanocrystals and MEH-PPV. The photocurrent action spectra of the nanocomposite device was wider than that of the pure MEH-PPV device, and the photocurrent was enhanced in comparison with the pure MEH-PPV device due to the introduction of CdSe nanocrystals.
		2006 Vol. 26 (12): 2169-2172 [Abstract] ( 560 ) PDF (620 KB) ( 417 )

	2173	The Orthogonal Polynomial Regression Method of Multi-Wavelength Radiation Thermometry
		LI Qi-nan¹, XU Xiao-xuan¹, WU Zhong-chen¹, SONG Ning¹, ZHANG Cun-zhou¹, YU Gang²
		For the problem of multi-wavelength radiation thermometry, the traditional data processing methods are the least squares techniques, the multiple linear regression fitting, and the stepwise regression fitting. There are some shortages in these methods, resulting in a certain error between the fitting result and the true temperature of the object surface. A new data processing method of multi-wavelength radiation thermometry——the orthogonal polynomial regression method was brought forward in this article on the base of variable emissivity. The mathematic principle of orthogonal polynomial regression method was expounded and according to the surface emissivities of tungsten, the true temperature of tungsten surface was simulated by the stepwise regression method and the orthogonal polynomial regression method. By comparing the fitting results, the authors found that the orthogonal polynomial regression method has the merit of simple principle and small operation, and the relative error between the fitting result and the surface true temperature is smaller. So the authors can draw the conclusion that using the orthogonal polynomial regression method to process the data of the multi-wavelength radiation thermometry, the fitting result has smaller error, it can fit the true temperature of object faster, and the result is more accurate than the traditional data processing methods.
		2006 Vol. 26 (12): 2173-2176 [Abstract] ( 2410 ) PDF (424 KB) ( 465 )

	2177	Discussion about the Prediction Accuracy for Dynamic Spectrum by Partial FFT
		LI Gang, LI Qiu-xia, LIN Ling, LI Xiao-xia, WANG Yan, LIU Yu-liang
		The development of near-infrared-based techniques for the noninvasive determination of blood component concentrations has attracted significant interest in recent years. But the noninvasive measurement of blood compositions has not yet been applied to the clinical field except blood oxygen saturation. The most important and also difficult problems are the effects of individual discrepancy and complicated measurement conditions. In the present article, the approach of dynamic spectrum (DS) is introduced, which is based on the principle of photoplethysmography. It is very difficult too to pick up DS with high precision in time domain. In order to extract the DS with high accuracy, the FFT method and it’s leakage are discussed. The influences of sampling speed, sampling signal periodicity, window function and unsynchronized sample are analyzed by emulating experiments. The result of emulating experiments shows that choosing certain sampling speed, sampling signal periodicity, window function and interpolation arithmetic will improve accuracy observably. This provides necessary condition for the clinical application of DS.
		2006 Vol. 26 (12): 2177-2180 [Abstract] ( 1515 ) PDF (535 KB) ( 494 )

	2181	Research on Parching Procedure of White Mustard Seed with Fourier Transform Infrared Spectroscopy and Two-Dimensional IR Correlation Spectroscopy
		YU Lu, SUN Su-qin^*, ZHOU Qun, QIN Zhu
		Using multi-steps macro-fingerprint infrared (IR) spectroscopy, which combines three steps: conventional Fourier transform infrared spectroscopy (FTIR), second derivative spectroscopy, and two-dimensional infrared (2D-IR) correlation spectroscopy, the authors tracked dynamically the parching procedure of mustard seed to analyze the main transformation during the process. Compared with conventional IR spectra of samples parched for different time, the authors found that the characteristic peaks of protein decreased gradually, indicating the reduction of protein with the parching process, maybe because under a longtime parching procedure the heat denaturation occurred in protein compound. In addition, the essence of enzyme was protein, therefore, its transformation trend was closely related to that of protein, which also underwent heat denaturation. The absorption peak around 1 055 cm^-1, which was due to the vibrations of fibred saccharides, began to minish rapidly at early time, then vanished after ten minutes because of the decomposition of fibred saccharides at the beginning of the process. Moreover the results of second derivative spectroscopy and 2D IR correlation spectroscopy validated that of conventional IR spectroscopy, which also indicated the heat denaturation of enzyme and decomposition of saccharides. This multi-steps macro-fingerprint IR spectroscopy method can track dynamically the processing procedure of medicinal herbs and reveal the main transformations; it must play an important role in studying medicinal herbs in the future.
		2006 Vol. 26 (12): 2181-2185 [Abstract] ( 1649 ) PDF (801 KB) ( 428 )

	2186	*Classification of Panax Quinquefolium* L. and Panax Ginseng C.A.Mey. Based on FTIR Analysis with SVM**
		LI Dan-ting¹,CHENG Cun-gui^1*, DU Zheng-xiong², HE You-qiu², KONG Li-chun¹
		The support vector machine (SVM ) is a new learning technique based on the statistical learning theory. In the present paper, forty Panax quinquefolium L. samples were used as experimental materials. The classification models were established using Fourier transform infrared spectra(FTIR)-SVM training method with the intention of identifying whether the Panax quinquefolium L. samples are genuine or they are just Panax ginseng C.A.Mey. samples. The thirty samples in training set were identified by the classifying models with an accurate rate of 100%, while the ten estimate samples had an accurate rate of 90%. The research result shows the feasibility of establishing the models with FTIR-SVM method to identify Panax quinquefolium L. samples and Panax ginseng C.A.Mey.
		2006 Vol. 26 (12): 2186-2189 [Abstract] ( 1627 ) PDF (505 KB) ( 479 )

	2190	Detection of Erucic Acid and Glucosinolate in Intact Rapeseed by Near-Infrared Diffuse Reflectance Spectroscopy
		RIU Yu-kui¹, HUANG Kun-lun^{1, 2}, WANG Wei-min³, GUO Jing¹, JIN Yin-hua¹, LUO Yun-bo^1*
		With the rapid development of transgenic food，more and more transgenic food has been pouring into the market, raising great concern about transgenic food’s edible safety. To analyze the content of erucic acid and glucosinolate in transgenic rapeseed and its parents, all the seeds were scanned intact by continuous wave of near infrared diffuse reflectance spectrometry ranging from 12 000 to 4 000 cm^-1 with a resolution of 4 cm^-1 and 64 times of scanning. Bruker OPUS software package was applied for quantification, while the results were compared with the standard methods. The results showed that the method of NIRS was very precise, which proved that infrared diffuse reflectance spectroscopy can be applied to detect the toxins in transgenic food. On the other hand, the results also showed that the content of erucic acid in transgenic rapeseeds is 0.5-1.0 times higher than that of their parents, and the content of glucosinolate in transgenic rapeseeds is 1.3-0.6 times higher than that of their parents.
		2006 Vol. 26 (12): 2190-2192 [Abstract] ( 618 ) PDF (342 KB) ( 450 )

	2193	The Preliminary Study for Testing Freshness of Meat by Using Near-Infrared Reflectance Spectroscopy
		HOU Rui-feng¹, HUANG Lan^1*, WANG Zhong-yi¹,DING Hai-shu², XU Zhi-long¹
		The value of the volatile basic nitrogen of meat is an important index to determine the freshness of meat. It is difficult to meet the demand of fast and non-destructive measurement by means of classical semimicro-quantitative nitrogent method. A model to predict the value of the volatile basic nitrogen based on near-infrared reflectance spectroscopy was established. Cluster analysis methods were applied to deal with the data of NIRS. If the content of TVB-N is more than 11.6 mg·(100 g)^-1, the back pork may be rotten. The result shows that using NIRS could indicate the freshness of meat quickly and non-invasively.
		2006 Vol. 26 (12): 2193-2196 [Abstract] ( 320 ) PDF (499 KB) ( 523 )

	2197	Study on Simultaneous Analysis of Indoor Air Multi-Component VOCs with FTIR
		XU Li-heng, FENG Yan-qing, CHEN Jian-qi
		Recently, the indoor air pollution, especially the volatile organic compounds (VOCs) is attracting more and more attention. The determination of indoor air organic gases becomes the key issue. In the present paper, a simultaneous quantitative measuring method of indoor air multi-component VOCs was established based on FTIR combined with chemometrics. The 3 200-2 600 cm^-1 and 1 100-600 cm^-1 bands of IR spectrum were used to establish validation model, and excellent coefficients were obtained (r²=0.970, 0.955 and 0.946 for benzene, toluene and dimethylbenzene, respectively). The root mean standard error of calibration for benzene, toluene and dimethylbenzene is 0.074 2, 0.081 9 and 0.087 7, respectively. The root mean standard error of prediction is 0.132, 0.134 and 0.033 3, respectively. The error of unknown sample prediction is acceptable. The IR method is effective for simultaneous analysis of indoor air multi-component VOCs. The model established by partial least squares (PLS) is better than that by principal components analysis (PCR).
		2006 Vol. 26 (12): 2197-2199 [Abstract] ( 1434 ) PDF (350 KB) ( 475 )

	2200	FTIR Spectroscopic Study on Natural Aragonitic Ceramics-Bivalve Shells of Hyriopsis Cumingii
		DING Shi-lei, ZHANG Gang-sheng^*
		The two shell layers, i.e., the ligament (HCL) and the inner nacreous layers (HCN) from bivalve shells of Hyriopsis cumingii, both composed of aragonite by powder XRD analysis, were comparatively analyzed by FTIR spectrometry. The results show that: (1) the features of ν₂ and ν₃ bands of aragonite are clearly different between the two shell layers, as the ν₂ band of HCN aragonite shows a 6.5 cm^-1 blue-shift, but the ν3 band shows a 22.7 cm^-1 red-shift compared to that of HCL aragonite; (2) the full width at half maximum of ν₂ and ν₃ bands of HCN aragonite is nearly doubled compared to that of HCL aragonite; (3) however, the features of ν₁ and ν₄ bands are independent on shell layers. It is suggested that the anisotropic frequency shifts of the aragonite in HCN and HCL perhaps result from the size effects of aragonite crystals.
		2006 Vol. 26 (12): 2200-2202 [Abstract] ( 1674 ) PDF (432 KB) ( 430 )

	2203	Remote Sensing of Atmospheric Trace Gas by Airborne Passive FTIR
		GAO Min-guang,LIU Wen-qing,ZHANG Tian-shu,LIU Jian-guo,LU Yi-huai,WANG Ya-ping,XU Liang, ZHU Jun,CHEN Jun
		The present article describes the details of aviatic measurement for remote sensing trace gases in atmosphere under various surface backgrounds with airborne passive FTIR. The passive down viewing and remote sensing technique used in the experiment is discussed. The method of acquiring atmospheric trace gases infrared characteristic spectra in complicated background and the algorithm of concentration retrieval are discussed. The concentrations of CO and N₂O of boundary-layer atmosphere in experimental region below 1 000 m are analyzed quantitatively. This measurement technique and the data analysis method, which does not require a previously measured background spectrum, allow fast and mobile remote detection and identification of atmosphere trace gas in large area，and also can be used for urgent monitoring of pollution accidental breakout.
		2006 Vol. 26 (12): 2203-2206 [Abstract] ( 1635 ) PDF (398 KB) ( 452 )

	2207	FTIR Research on Tomato Pollens with Flight Mutagenesis
		WANG Yi-lin¹, YANG Qun¹, YANG De², YAO Jie³
		Four tomato pollen line(two tomato pollen lines with space flight mutagenesis, and two common tomato pollen lines) were studied by FTIR. The method combines two steps: FTIR spectra, and second derivative spectroscopy. The results indicate that the IR spectrum of tomato pollen is mainly composed of absorption of protein, amino acid, and carbohydrates, etc, and IR spectrum shows a small change. The same change occurs fot the two space tomato: the absorbance appears at 1 100-830 cm-1 region and 1 390 cm^-1 peak is stretching. However, absorbance at 1 645 cm^-1 was stretching for the big space tomato, while the absorbance at 1 535 cm^-1 was stretching for the small space tomato.
		2006 Vol. 26 (12): 2207-2209 [Abstract] ( 1692 ) PDF (282 KB) ( 404 )

	2210	Identification of Rhizoma Atractylodes Based on FTIR Spectra and Radial Basis Function Network
		JIN Wen-ying^1,2,CHENG Cun-gui^1*,WU Xiao-hua¹
		In order to recognize the atractylodes macrocephala Koidz. (rhizoma atractylodes) and its confusable varieties，three kinds of models of radial basis function network(RBF), nonlinear-linear, linear-linear, and nonlinear-nonlinear model, were used combined with their Fourier transform infrared spectra (FTIR). Rhizoma atractylodes models were collected by Fourier transform infrared spectra, 36 samples were gathered as a training target, and 27 samples as a test set, then their supervision training was performed using three models each. When the summation of error square of the training target was selected as 0.01, the correct rate for recognition of Fourier transform infrared spectra using each RBF was 100% for the training set, but was different for the test set, which depended on the number of mode in hidden layer, S₁. It was found that with the increase of S₁, the correct rate would decrease oppositely. This may be caused by the high degree of the nonlinearity of the networks, so that the models of networks were not fit for the training of this kind of sample set. When using linear-linear model of RBF, the correct rate varied with S₁ to some extent, but was generally about 85%. Recognizing ability obtained using nonlinear-linear model of RBF was the best. Its correct rate of recognition was ＞97%. When S₁=3, and so this method can be used to recognize atractylodes macrocephala Koidz. (rhizoma atractylodes) and its confusable varieties simply, rapidlly and accurately.
		2006 Vol. 26 (12): 2210-2213 [Abstract] ( 2155 ) PDF (517 KB) ( 441 )

	2214	Construction of Universal Quantitative Models for Determination of Cefoperazone Sodium for Injection from Different Manufacturers Using Near Infrared Reflectance Spectroscopy
		PANG Huan-huan^{1, 2}, FENG Yan-chun^{1, 4}, HU Chang-qin^1*, XIANG Bing-ren³
		Universal quantitative models using NIR reflectance spectroscopy in two different kinds of sampling mode were developed for the analysis of cefoperazone sodium for injection from different manufacturers in China. The quantitative models were established using partial least squares(PLS). Nineteen batches of cefoperazone sodium for injection samples from 9 different manufacturers were predicted by the quantitative models. The root mean square errors of cross validation (RMSECV) and the root mean square errors of prediction (RMSEP) of the model in integrating sphere sampling mode were 0.99 and 0.98, respectively. The values of RMSECV and RMSEP of the model in fibre sampling mode were 1.12 and 1.17, respectively. Based on the ICH guidelines and characteristics of NIR spectra, the quantitative models were then evaluated in terms of specificity, linearity, accuracy, and precision. The authors’ study has shown that it is feasible to build a universal quantitative model in fibre sampling mode for quick analysis of pharmaceutical products from different manufacturers. As a result of its good specificity and applicability, the model could be used for quick, non-destructive prescreening of counterfeit and substandard drugs in the mobile vehicle.
		2006 Vol. 26 (12): 2214-2218 [Abstract] ( 1572 ) PDF (643 KB) ( 477 )

	2219	A Rapid and Nondestructive Study of Yi Herbs Dahongpao and Jigen with Fourier Transform Infrared Spectroscopy
		YANG Qun¹, WANG Yi-lin¹, YAO Jie², YU Hui-xiang³
		Two Yi herbs were studied by ATR Fourier transform infrared spectroscopy in the present paper. The main characteristic peaks of Jigen are: 1 726 and 1 641 cm-1 (broad peak), 1 505 cm^-1(small peak), four finger small peaks near 1 379 cm^-1, 1 244 cm^-1(small sharp peak), 1 512 cm^-1(small peak), 1 438 cm^-1(small sharp peak), and 1 044 cm^-1(strong, single peak). The results show that Jigen and Dahongpao have different characteristic infrared spectra. FTIR has proved to be a rapid, simple and nondestructive method to discriminate Yi herbs. Besides, test indicates that the two Yi herbs have a characteristic in common: absorbance at 1 034 cm^-1 is the strongest, which is attributed to stretching of C—O—C, indicating that the spectra of the Yi herbs root is mainly composed of the adsorption of carbohydrates, lignin, cellulose etc.
		2006 Vol. 26 (12): 2219-2221 [Abstract] ( 1145 ) PDF (306 KB) ( 393 )

	2222	Reaction Mechanisms of the UV-Photolysis of Methyl Hydroperoxide
		WANG Cai-xia, CHEN Zhong-ming^*, XU Jin-rong
		Methyl hydroperoxide (CH₃OOH) is one of the main organic peroxides in the atmosphere, and its formation and removal processes will have a significant impact on the concentration level of the atmospheric radicals. In the present paper, the technique of long path Fourier transform infrared (LP-FTIR) spectrometry was used for the in-situ investigation of the UV-photolysis of CH₃OOH under atmospheric conditions at normal temperature and pressure. The products of photolysis were identified as HCHO, HC(O)OH, CH₃OH, CO and CO₂. Moreover, OH radicals were also detected. Finally, the mechanisms of this reaction were extrapolated on the basis of the analysis results, and the atmospheric implications were discussed.
		2006 Vol. 26 (12): 2222-2225 [Abstract] ( 1677 ) PDF (396 KB) ( 437 )

	2226	Synthesis and Spectral Study of Molybdovanadophosphoric Heteropoly Compound Containing Glycine with Tri-Vanadium-Substituted Dawson Structure
		LIU Xia¹,ZHAO Jun²,FENG Chang-gen^2*,NIE Fu-de³
		A new molybdovanadophosphoric heteropoly compound containing glycine with tri-vanadium-substituted Dawson structure, namely C₂H₁₄O₆₄P₂Mo₁₅V₃·5H₂O was synthesized and structurally characterized by elemental analysis, including IR spectra，X-ray and TGA powder diffraction. The median lethal dose (LD₅₀) was 3 798.83 mg·kg^-1, and the range of 95% confidence limit was 2 976.81-4 847.85 mg·kg^-1. According to the study，this new compound may be regarded as a low toxic compound.
		2006 Vol. 26 (12): 2226-2228 [Abstract] ( 1565 ) PDF (424 KB) ( 420 )

	2229	Study on the Spectroscopy of 5-(4-Pyridyl)-1,3,4-Oxadiazole-2-Thiol
		WANG Ying,YAN Lian-he
		The title compound (5-(4-pyridyl)-1,3,4-oxadiazole-2-thiol) was synthesized by the ring-closing reaction of isoniazide with carbon bisulfide, and the reaction course was discussed preliminarily. The mechanism of this reaction is nucleophilic addition. The compound was characterized by Fourier transform infrared(FTIR) spectrometry and nuclear magnetic resonance(NMR). The thermal analytical data indicate that the compound was decomposed completely at the temperature of 506 ℃.
		2006 Vol. 26 (12): 2229-2231 [Abstract] ( 1635 ) PDF (291 KB) ( 398 )

	2232	Support Vector Machine and Optimized Method for Spectral Analysis
		LIN Ji-peng^{1, 2}, LIU Jun-hua¹
		According to support vector machine based on the regularization theory, a small scale machine study theory was proposed to solve the problem of multi-gas analysis, which is mainly restricted by the lack of experimental samples. With its well nonlinear mapping ability, the training error was decided to be zero and global optimal parameters were obtained, hence the cross-sensitivity of spectrum is preferably eliminated. In multi-component gas analysis，the results show that the cross-sensitivity decreased to 1/81. A method based on genetic algorithm and cross-validation was proposed to solve the parameters selection of support vector machine(SVM), which still lacks theory support. The optimal structure parameters were achieved by genetic random search algorithm, the mean square error(MSE)0.018 of the spectrometer was achieved in 20th generation, and MSE decreased by multi-times in the fore generations. This hints that the genetic algorithm SVM is more efficient and has better generalizing ability.
		2006 Vol. 26 (12): 2232-2235 [Abstract] ( 1171 ) PDF (498 KB) ( 412 )

	2236	Study on Vibration Spectrum and Properties of Anhydrous Potassium Pentaborate Crystal at High Temperature
		ZHANG Jin-ping,YANG Gang,LI Zuo-hu
		The effect of water vapor on the structure of anhydrous potassium pentaborate was studied at high temperature by self-designed reactor in the present paper. The vibration spectra of anhydrous potassium pentaborate crystal at high temperature were analyzed by X-ray diffraction spectrum(XRD), infrared spectrum(IR) and Raman spectrum. The ratio of B₂O₃ to K₂O in potassium pentaborate was diminished by reacting with water vapor. XRD analysis shows that K₅B₁₉O31 exists in potassium pentaborate crystal at 750 ℃, while IR and Raman analysis show that some triangular structure units(B₍₃₎—O) are changed to tetrahedral structure units(B₍₄₎—O) in the crystal. The content of tetrahedral structure unit(B₍₄₎—O) increases and the network configuration between boron and oxygen is farther broken.
		2006 Vol. 26 (12): 2236-2239 [Abstract] ( 1664 ) PDF (387 KB) ( 439 )

	2240	Electrochemical Character of Gold/Silver Nanoparticles and SERS Studies on Benzidine
		SUN Ru, GU Ren-ao^*
		Colloidal gold was prepared by sodium citrate-induced reduction of hydrogen tetrachloroaurate. Colloidal silver was prepared by the reduction of silver nitrate by sodium borohydride respectively. The gold and silver sols were characterized by means of UV-Vis, SEM and CVs. Results show that the gold and silver colloids were a monodisperse suspension with the average size of 16 and 10 nm respectively; Ordered sub-monolayer structure of gold and silver nanoparticles on the ITO was fabricated by self-assembly technique. The CV character of gold and silver nanoparticles features a pair of asymmetrical ox-red peaks separately，moreover, the positions of these peaks are influenced by the concentrations of gold and silver nanoparticles. Ordered double-layer structures of gold/silver nanoparticles on roughened gold substrates were obtained by self-assembly method, where benzidine was used as the coupling molecules. The results of surface-enhanced Raman spectroscopic characterization show that Raman scattering of benzidine molecules during self-assembly is enhanced.
		2006 Vol. 26 (12): 2240-2243 [Abstract] ( 1227 ) PDF (577 KB) ( 497 )

	2244	Studies of Influences of Environmental Light on Near-Infrared Laser Raman Spectra of Sodium Glutamic Acid Solution
		LIU Wen-han, WU Xiao-qiong, ZHENG Jian-zhen, ZHANG Dan, MAO Xin-biao, MA Chun-an
		The near-infrared laser Raman spectra influenced by environmental light were studied in the determination of sodium glutamic acid solution. The environmental lights included natural light from outdoors and light from room fluorescent lamp. The results show that different influences on near infrared laser Raman spectra of sodium glutamic acid solution can be produced in different environmental light. There were some characteristic spectral lines, down peaks or sharpened peaks. These influences cannot be ignored. It is suggested that the determination of solution by near-infrared laser Raman spectra is carried out in darkroom or in dark cover to completely isolates the influences of the environment lights.
		2006 Vol. 26 (12): 2244-2246 [Abstract] ( 1505 ) PDF (283 KB) ( 432 )

	2247	Study on the Infrared Spectra and Raman Spectra of Steel Rusty Layer with Atmospheric Corrosion
		YANG Xiao-mei
		In the present study two methods, infrared and Raman spectral analyses, were used to measure the rusty layer of samples with atmospheric corrosion from Qingdao. The main component rust phase of the rusty layer was observed, showing that the relative content of the rust phase varies with the change in corrosion time. The main component rust phases of the rusty layer were found to be α-Fe₂O₃,γ-FeOOH, α-FeOOH, δ-FeOOH and Fe₃O₄, with the relative content of each rust phase of A₃ (1) rusty layer sample exhibiting the following relation: γ-FeOOH＞α-FeOOH＞δ-FeOOH, and the relative contents of other rusty layer samples were found to follow the relation: γ-FeOOH＞δ-FeOOH＞α-FeOOH.
		2006 Vol. 26 (12): 2247-2250 [Abstract] ( 1293 ) PDF (428 KB) ( 495 )

	2251	SERS of Positive Silver Colloids with Addition of Aggregating Agent
		SI Min-zhen¹, XU Yuan¹, WU Rong-guo², ZHANG Peng-xiang³
		A very strong surface-enhanced Raman scattering (SERS) spectrum was obtained when adding some aggregating agent such as HNO₃ and NaNO₃ in positive silver colloid reduced by citrate using 633 nm radiation. In aid of characterizing the SERS of this process, SERS from positive silver colloid with the addition of H2SO₃, HCl, and NH₃ recorded. It was found that the SERS come from the citrate when adding HNO₃, NaNO₃ and H₂SO₃, from NH₃ and citrate when adding NH₃, and only from Ag—Cl when adding HCl through comparing the spectra. Furthermore, the surface layer of positive silver colloid particles could be Ag⁺, and the diffusion layer could be citrate.
		2006 Vol. 26 (12): 2251-2253 [Abstract] ( 1230 ) PDF (306 KB) ( 478 )

	2254	Study of Fluorescence Spectra of Blattela Germanica Allergen, Derenatured and Renatured Bla g 2
		ZHU Jian-qi¹, LIU Zhi-gang^1*, HUANG Hai-zhen², ZHU Yong-feng¹, XU Hong¹
		Recombinant proteins extracted from inclusion body remain in denaturation status. Renaturation in vitro after initial purification is a key step of downstream processing. A common method of renaturation of recombinant proteins is the dilution method. With Bla g 2 as a model protein, the conformational changes of denatured and renatured Bla g 2 were investigated by applying fluorescence spectra. The effects of different urea concentrations, different SDS concentrations and different pH on the fluorescence intensity of renatured protein were also investigated. The reasons for these were studied with the knowledge of molecular structure.
		2006 Vol. 26 (12): 2254-2257 [Abstract] ( 1093 ) PDF (554 KB) ( 393 )

	2258	Effects of Environmental Factors and Denaturants on the Specific Absorption Spectrum and Fluorescence Characters of B-Phycoerythrin
		HU Jin-mei¹, WEI Dong^1*, GUO Si-yuan¹, CHEN Feng^1,2
		Effects of environmental factors and denaturants on the variation rules of the specific absorption spectrum and fluorescence emission intensity of B-phycoerythrin were systematically investigated in the present paper. The results showed that B-phycoerythrin was relatively stable under certain conditions: the pH range from 4.5 to 9.5, temperature range from 25 to 60 ℃, and illumination intensity at 2 800 lx in 24 h. The specific absorption spectrum and fluorescence emission intensity of B-phycoerythrin changed slightly. The conformation of B-phycoerythrin changed remarkably with 0.5％-3％ SDS or 0.25％-1％ β-mercaptoethanol, the fluorescence emission intensity declined greatly, and the specific absorption peaks disappeared. The fluorescence emission intensity declined, while the specific absorption spectrum did not change, but the peak intensity reduced slightly with 10％-70％ acetonitrile or 2-8 mol·L^-1 urea. The possible reasons for the conformation changes of B-phycoerythrin with various environmental factors and different denaturants were briefly discussed.
		2006 Vol. 26 (12): 2258-2263 [Abstract] ( 1725 ) PDF (704 KB) ( 435 )

	2264	Rapid Determination of Tetrodotoxin Using Microwave Assisted Alkaline Hydrolysis and Spectrofluorometric Analysis
		SHEN Xiao-shu, GUO Lei^*, GU Ming-song, FENG Jian-lin, XIE Jian-wei
		To develop a rapid, simple and sensitive method for determining the concentration of tetrodotoxin(TTX), TTX was hydrolyzed in the strong alkali solution of water mixed with isopropanol. The concentration of TTX can be indirectly analyzed by the fluorescence signal of its alkaline hydrolysis product which can be enhanced by the microwave method. The maximum excitation and emission wavelengths of the alkaline hydrolysis product of tetrodotoxin were 380 and 496 nm, respectively. The linear range of the calibration curve was 0.1-10 μmol·L^-1 with r=0.9991. The limit of detection was 0.05 μmol·L^-1,which was twenty times lower than before. A rapid, highly sensitive and accurate method was thus established. It can be used as a quantitative method for detecting TTX.
		2006 Vol. 26 (12): 2264-2267 [Abstract] ( 1775 ) PDF (570 KB) ( 416 )

	2268	Synthesis and Characterization of La(Ⅲ) Binuclear Complex with 2-Hydroxy-1-Naphthaldehyde-β-Alanine and Its Interaction with DNA
		LI Ying-ying, FAN Yu-hua^*, BI Cai-feng, ZHANG Dong-mei, ZOU Yan-na,XIAO Yan
		The binuclear complex of Schiff base C₁₄H₁₂NO₃K(KHL) derived from 2-hydroxy-1-naphthaldehyde and β-alanine with lanthanide nitrate was synthesized and characterized by elemental analysis, IR, UV, TG-DTA, and molar conductance analysis. The composition of the complex was [La₂(L)₂(NO₃)₂]·2C₂H₅OH. The interaction of the complex and DNA was studied by fluorescence spectrum. The result indicates that the La(Ⅲ) complex could cause a sharp decrease in the fluorescence intensity of EB-DNA system, and the complex could partly sustain the place of EB.
		2006 Vol. 26 (12): 2268-2271 [Abstract] ( 1119 ) PDF (453 KB) ( 423 )

	2272	The Action Mechanism of 8-Azaadenine and Its Metal Complexes with DNA
		XI Xiao-li, YANG Man-man,YANG Pin^*
		The mechanism of the interactions of 8-azaadenine and its Co²⁺ and Cu²⁺ complexes with DNA was studied by UV and fluorescence spectra using ethidium bromide(EB) as the probe molecule. When pH 9.86, the action of 8-azaadenine-Co²⁺ with DNA was electrostatic effect and certain kind of intercalation action, when pH 7.4, the action of 8-azaadenine-Cu²⁺ with DNA was intercalation action and certain kind of electrostatic effect, when pH 2.85, the action was intercalation action and certain kind of electrostatic effect. But when pH 7.4, 8-azaadenine hardly influenced the intercalation action of EB and DNA, and the action of 8-azaadenine and DNA was electrostatic action.
		2006 Vol. 26 (12): 2272-2275 [Abstract] ( 1126 ) PDF (470 KB) ( 427 )

	2276	Study of Interaction of Ciprofloxacin Probe and Calf Thymus DNA Using Fluorescence Spectrometry
		GAN Ning^{1, 2}, GE Cong-xin¹
		The interaction of ciprofloxacin and calf thymus DNA (ctDNA) was studied using UV spectrometry and fluorescence spectrometry. Ciprofloxacin exhibited a fluorescence excitation at 270 nm and a fluorescence emission at 420 nm in pH 7.0 phosphate buffer solutions due to the groove binding of ciprofloxacin on calf thymus ctDNA. The binding constant was 2.64×10⁴ mol^-1·L(25 ℃). Based on the fluorescence quenching, a novel method for sensitive determination of calf thymus ctDNA concentration ranging from 80 nmol·L^-1 to 45 μmol·L^-1 was developed. The relative standard deviation for eleven detections of 25 μmol·L^-1 ctDNA was 4.2%.
		2006 Vol. 26 (12): 2276-2279 [Abstract] ( 1208 ) PDF (512 KB) ( 438 )

	2280	Fluorescence Spectra and Photo-Generating Rate of Singlet Oxygen of Phthalocyaninatopalladium
		XU Xiu-zhi，WANG Jun-dong，FANG Xin，CHEN Nai-sheng^*,HUANG Jin-ling
		The absorption spectral properties, fluorescence spectral properties and the abilities of photo-generating singlet oxygen of four phthalocyanines, namely tetra-α-(2,2,4-trimethyl-3-pentoxy) phthalocyaninatopalladium (zinc) and tetra-α-(2,4-diterbutylphenoxy) phthalocyaninatopalladium (zinc), were determined. Experimental results show that the ability of photo-generating singlet oxygen of phthalocyaninatopalladium is similar to that of phthalocyaninatozincx, though palladium(Ⅱ) is an open shell electron structure and zinc(Ⅱ) is a closed shell structure. This may be concerned with a weak flourescence intensity and a strong inter-crossing transition of phthalocyaninatopalladium.
		2006 Vol. 26 (12): 2280-2282 [Abstract] ( 1036 ) PDF (335 KB) ( 460 )

	2283	Experimental Investigation on the Quenching Characters of Induced Fluorescence of Dissolved Organic Matter in Polluted Water
		CHEN Dong,LIU Wen-qing,ZHANG Yu-jun,LIU Jian-guo,LI Hong-bin,DING Zhi-qun
		The concentration of dissolved organic matter(DOM) is an important index to assess natural water quality. Fluorescence measures can be used to scale the DOM loading in natural water in a highly sensitive, highly selective and online way. The relations between the fluorescence intensity and the solution concentration, pH, and metal ion content were studied. The experiment results show that the fluorescence intensity and the solution concentration have a linear relationship when the concentration is below 10 mg·L^-1 and the pH is in the range of 6.5-7.5. The metal ions have a strong quenching effect on the fluorescence intensity of DOM, and the quenching effect is correlated with the coodination characters of the ions.
		2006 Vol. 26 (12): 2283-2286 [Abstract] ( 462 ) PDF (522 KB) ( 493 )

	2287	Study on Interaction between Hypocrellin A and Hemoglobin or Myoglobin Using Synchronous Fluorescence Spectra
		WU Xiao-hong²,ZHOU Jia-hong¹,GU Xiao-tian¹,WEI Shao-hua²,FENG Yu-ying^1*,LU Tian-hong², WANG Xue-song³, ZHANG Bao-wen³
		The effects of hypocrellin A (HA) on the conformational changes of hemoglobin and myoglobin were studied using synchronous fluorescence spectroscopy. The results indicated that HA can change the conformation of these two proteins，leading to the change in the micro-environment of tryptophane and tyrosine residues from hydrophobic environment to hydrophilic environment to different extent.
		2006 Vol. 26 (12): 2287-2290 [Abstract] ( 1767 ) PDF (425 KB) ( 473 )

	2291	Application of Over Sampling ∑-ΔA/D in DOAS System
		LI Su-wen^1,2, LIU Wen-qing¹, XIE Pin-hua¹
		Differential optical absorption spectroscopy (DOAS) has become a widely used method to measure trace gases in the atmosphere. Concentration of trace gases is retrieved using least-squares fits of reference spectra to the measurement spectra. The measurement precision not only depends on the measurement precision of spectra and the noise of instrument and disturbing of other gases in measuring band, but suffers the influence of signal sampling and pre-processing. The present paper simply introduced DOAS measuring principle and the setup of instrument and put forward improving method-the technology of over sampling ∑-ΔA/D. Using the ∑-Δ modulator structure to shape noises together with the over sampling technology can doubly restrain quantifying noises, which can improve the signal-to-noise ratio within the measuring band. So the measurement precision of DOAS system is improved with this technology.
		2006 Vol. 26 (12): 2291-2293 [Abstract] ( 2236 ) PDF (383 KB) ( 493 )

	2294	Study on Fenton-Methylene Blue Spectral Analysis Method for Determining the Inhibitory Effect of Quercetin Complexes on Hydroxyl Free Radical
		LI Fang¹, ZHENG Huai-li²
		In the present, Fenton-Methylene Blue spectral measurement was established, and the new analytical method was applied successfully to determine the inhibitory effect of quercetin (Que) and its complexes on hydroxyl free radical. Methylene Blue(MB) can capture the ·OH produced by Fenton reaction, turning its color from blue to achromatic. Therefore, MB was selected as the indicator of the spectral measure study. The testing conditions optimized were pH 8.0, H₂O₂ solution (0.3%) 0.50 mL, FeSO₄ solution (5 mmol·L^-1) 0.50 mL and MB solution(2.56×10^-5 mol·L^-1)1.0 mL. The experiment results showed that Que-Zn(Ⅱ), Que-Cu(Ⅱ) and Que-Fe(Ⅲ) complexes held significant effects of scavenging action on ·OH radical and were more effective in scavenging ·OH than quercetin itself, showing the good cooperative action between quercetin and trace metal elements. The structure-bioactivity relationship of the coordination complexes was also discussed through analyzing the antioxygenic activity of quercetin-metal complexes.
		2006 Vol. 26 (12): 2294-2297 [Abstract] ( 1153 ) PDF (573 KB) ( 484 )

	2298	Study on Supramolecular Complexes of Cyclodextrins and Fenoxaprop-p-Ethyl by UV Spectra
		ZHANG An-ping¹, LUO Fan¹, LIU Wei-ping^2*
		The supramolecular complexes of fenoxaprop-p-ethyl and various cyclodextrins (β-CD, HP-β-CD, RAMEB) were studied by UV spectra technique. The results showed that all cyclodextrins could form 1∶1 inclusion complexes with fenoxaprop-p-ethyl in ethanol-water (the volume ratio of ethanol to water was 1∶4), and the binding constants of the three types of cyclodextrins toward fenoxaprop-p-ethyl were in the order of K_RAMEB>>K_HP-β-CD＞K_β-CD. Between 298.15 and 318.15 K, the binding constants decreased with temperature increasing. The Gibbs free energy ΔG, enthalpy change ΔH, and entropy change ΔS determined were all negative, suggesting that the inclusion complexation is exothermic and can spontaneously occur by the balance of enthalpy driving and entropy opposing.
		2006 Vol. 26 (12): 2298-2301 [Abstract] ( 1104 ) PDF (487 KB) ( 410 )

	2302	Research on Airborne Hyperspectral Identification of Red Tide Organism Dominant Species Based on SVM
		MA Yi^{1, 2}, ZHANG Jie^{1, 2},CUI Ting-wei¹
		Airborne hyperspectral identification of red tide organism dominant species can provide technique for distinguishing red tide and its toxin, and provide support for scaling the disaster. Based on support vector machine(SVM), the present paper provides an identification model of red tide dominant species. Utilizing this model, the authors accomplished three identification experiments with the hyperspectral data obtained on 16^th July, and 19^th and 25^th August, 2001. It is shown from the identification results that the model has a high precision and is not restricted by high dimension of the hyperspectral data.
		2006 Vol. 26 (12): 2302-2305 [Abstract] ( 235 ) PDF (425 KB) ( 509 )

	2306	Studies on the Features of Binding Reaction of Eosin Y with Bovine Serum Albumin
		YAN Cheng-nong¹,MEI Ping¹,XIONG Dan¹,LIU Yi²
		The binding of eosin Y to bovine serum albumin (BSA) was studied by fluorescence spectroscopy and ultraviolet spectrum.It was shown that this compound has a quite strong ability to quench the fluorescence from BSA. After analyzing the fluorescence quenching data according to Sterm-Volmer equation，Lineweaver-Burk equation and thermodynamic equation at 298.15 K，the binding constant(K_LB=3.601 ×10⁵ L·mol^-1) and thermodynamic parameters(ΔH^θ：-22.66 kJ·mol^-1,ΔG^θ：-31.30 kJ·mol^-1 and ΔS^θ：36.32 J·K^-1)were obtained, which provide important information for researching the configuration modification of BSA caused by added eosin Y，biological effects of eosin Y in a living body, and dyeing mechanism of cells.
		2006 Vol. 26 (12): 2306-2310 [Abstract] ( 1258 ) PDF (788 KB) ( 445 )

	2311	Study on the Effect of Electric Field on the Secondary Structure of Lipase by Circular Dichroism
		YAO Zhan-quan^{1, 2}, AO Dun-ge-ri-le¹, XU Qiang¹, YANG Ti-qiang¹
		After the lipase was treated with electric field for five minutes, the effect of electric field on the secondary structure of lipase was studied by circular dichroism (CD). The results showed that different electric field strength in the range from 0.5 to 6.0 kV·cm^-1 has a different effect on the relative contents of α-helix, β-sheet, β-turn and random coil of the lipase, and whose changes were non-monotonous with the raising of electric field. In general, the electric treatment tends to transform the α-helix and β-sheet into β-turn and random coil. The decrease in α-helix and β-sheet ranged respectively from 4.6% to 48.0% and from 13.2% to 35.1%, and the increase in β-turn and random coil ranged respectively from 2.8% to 33.3% and from 0.9% to 48.1%. The result of this study has important meaning to explain the biological effect of electric treatment seeds.
		2006 Vol. 26 (12): 2311-2314 [Abstract] ( 1864 ) PDF (475 KB) ( 423 )

	2315	Nanoscale Silicas in Oryza Sativa L. and Their UV Absorption
		FANG Jiang-yu^1,2,WAN Xiao-chun^1*,MA Xue-long²
		To reveal the unique microstructure of silica in rice and its absorption of ultra violet, wet digestion was chosen to isolate silica bodies from rice leaves and bract according to the fact that concentrated acid cannot destroy glass made of SiO₂. A mixed solution of sulfuric and nitric acids was applied to the leaves and bract of rice, respectively. After keeping the treated samples in 60-70 ℃ water bath for 30 hours and times of washing and sedimentation in water, pure silica bodies were obtained. The detection by X-ray photoelectron spectroscopy(XPS) indicated that there was 35.05% of carbon 10 nm under the surface of the silica body, much more than the amount of 5.88% on the out surface which might be due to the contamination of the air contact with the sample. This fact showed that acid couldn’t get into the silica body to oxidize the inner organic compounds to alter the structure, therefore the chemical and physical properties of the silica measured could account for the original status in the leaf and bract. Scanning electron microscopy and transmission electron microscopy observation revealed that the silica body of rice is made up of inseparable SiO₂ particles of 1-2 nm, sticking slackly to form nano-scale rods of average 45 nm wide and arranging in the same direction. Besides, there were lots of pores inside the inner part of the silica body, including both micron-scale pores(≤1 μm) and nano interstitial pores(≤1-2 nm). The bract silica has the greatest absorption at 285 nm of UV-B, while the leaf silica has a very low UV absorption, indicating that silica in the two organs of rice has different mechanism of radiation resistance.
		2006 Vol. 26 (12): 2315-2318 [Abstract] ( 2087 ) PDF (621 KB) ( 400 )

	2319	Application of Kohonen and BP Neural Networks to Simultaneous Determination of Tungsten and Molybdenum
		WANG Jin-ping¹,SUN Xiao-bo¹,LI Jing-hui²,GAO Li-rang²,NIU Chun-ji³
		BP artificial neural networks combined with Kohonen networks were used for the simultaneous determination of tungsten and molybdenum by spectrophotometry. First, the topology structure of Kohonen artificial neural networks was studied, and applied to the wavelength selection of the overlapped spectra of tungsten and molybdenum. Then the most informative wavelengths were selected from the full spectra, and absorbance values were used as the optimal input sets of the three-layer BP neural networks. Compared with the routine method of wavelength selection, the results prove that using Kohonen networks to select the most informative wavelengths can optimize the input layer of BP-ANN, and the prediction ability of BP-ANN is improved. So Kohonen networks can be used as a tool for wavelength selection.
		2006 Vol. 26 (12): 2319-2322 [Abstract] ( 1480 ) PDF (384 KB) ( 438 )

	2323	Determination of Cobalt Concentration in Hard Alloy Using Laser-Induced Plasma Spectroscopy
		LI Jing¹, ZHANG Jian-qiu¹, LI Sheng-li²
		The cobalt spectrum measurement was conducted with the experiment setup including a Nd∶YAG Q-switched solid laser as the exciting light, and YG hard alloy as the sample. Experiments show that the 345.35 nm sensitive spectral line intensity of Co in YG3 demonstrates a parabola trend with the increase in power density, and as the power density exceeds 1.2×10⁸ W·cm^-2, the spectrum intensity becomes stronger, and its deflection becomes less. The experiments on measuring Co concentration in YG hard alloy series show that the concentration of cobalt has a good linear relationship with its spectral intensity, the maximum relative error of measurement is 5.08%, and the result is reliable with higher precision.
		2006 Vol. 26 (12): 2323-2325 [Abstract] ( 1548 ) PDF (325 KB) ( 400 )

	2326	Investigating the Distribution of 11 Kinds of Trace Elements in Root-Like and Rootstalk-Like Dried Medicinal Herbs by Using Microwave Digestion-ICP-MS
		WANG Yan-ze¹, WANG Ying-feng¹, SHI Yan-zhi^1*, CHEN Yu-hong²
		A method was studied for the analysis of 11 kinds of trace elements(Cr, Mn, Ni, Co, Cu, Zn, As, Se, Mo, Cd and Pb) in root-like and rootstalk-like dried medicinal herbs by microwave digestion-ICP-MS. A digestion method was developed for trace elements analysis for two types of herbs. The Microwave digestion condition was optimized in terms of digestion system, proportion of acids, and digestion procedure, which affords reference to the preparation of the same kinds of dried medicinal herbs. The detection limits of the method for all sample elements were in the range of 0.001-0.260 μg·g^-1, the RSDs were between 0.4%-3.1% and the recoveries were between 90% and 110%.
		2006 Vol. 26 (12): 2326-2329 [Abstract] ( 1679 ) PDF (507 KB) ( 424 )

	2330	Determination of Active Species of Heavy Metals in Sewage Sludge by ICP-MS
		TIAN Dong-mei¹, DENG Gui-chun², ZANG Shu-liang², SONG Xue-jun¹, WU Shi-wei¹
		Sewage sludge samples for the research from the sewage disposal plants of the north, Mantang River and Xiannu River in Shenyang were extracted and separated by H₂O, HAc and organic solvents of different polarities. The active species of Cd, Pb, Cu, Zn and Cr existing in the sewage sludge were determined by ICP-MS, and the regularity and influential factors were studied under the alternation of environmental conditions. The results showed that the content of acid-soluble heavy metals was more than that of water-soluble ones, and both had coincident regularity under the alternation of time and temperature; the content of the organic solvents was positively correlated to the solvent polarity. The acid-soluble heavy metals were more active during the course of transforming, and the activity sequence of heavy metals in the same species was: water-soluble Zn＞Cu＞Cd＞Pb＞Cr, acid-soluble Cd＞Cr＞Cu＞Zn＞Pb, and organic-soluble Pb＞Cd＞Cr＞Cu＞Zn.
		2006 Vol. 26 (12): 2330-2333 [Abstract] ( 399 ) PDF (596 KB) ( 463 )

	2334	Study on Mechanism of Beer Yeast Adsorbing Copper Ion by Spectroscopy
		HAN Run-ping,YANG Guan-yu, ZHANG Jing-hua, BAO Gai-ling, SHI Jie
		Copper ions adsorption by beer yeast was studied by AAS, FTIR, SEM/EDS etc. The quantity of copper biosorption by NaOH-treated yeast and acetone-treated yeast increased significantly, while the esterification of carboxylate functionalities and the methylation of amino group presented in the cell walls of yeast resulted in a marked decrease in copper adsorption. These results show that amino and carboxylate groups in yeast cell wall play a great role in binding copper. According to IR spectra, the dominating bands near 1 652, 1 539 and 1 237 cm^-1 are assigned to amide Ⅰ, amide Ⅱ and amide Ⅲ, the characteristic IR absorption of protein which could be one of the significant components of cell walls. The peak near 1 456 cm^-1 is attributable to the bending stretching of CH₂— and CH₃—. The changes in the spectra of the copper-exposed yeast biomass were in the stretch of hydroxyl groups or amino groups, which shifted from 3 392 to 3 404 cm^-1, and in the symmetrical stretch of carboxylate groups, which shifted from 1 405 to 1 383 cm^-1. The components and structure of the exposed-copper biomass remain intact. SEM/EDS analysis shows that the main elements of beer yeast are carbon, oxygen, and magnesium, while the surface of yeast is rough, and the copper-loaded yeast only binds little copper.
		2006 Vol. 26 (12): 2334-2337 [Abstract] ( 645 ) PDF (640 KB) ( 438 )

	2338	Determination of V, Mo, Ni, Hg in Chinese Traditional Cardiovascular Medicine by AAS
		ZHANG Qi-feng¹,ZOU Tu-de¹,FAN Mei-mei²,LI Li¹,WANG Chen¹,TU Long-fei¹
		Aimed at curing life-threatening cardiovascular diseases, many new drugs containing Chinese medicines have been developed for commercial use. It is critical that the contents of these drugs are well monitored and controlled. In the last five decades, understanding the effects of trace elements on treating cardiovascular diseases has drawn more and more attention of researchers. In the present study, AAS was used to measure the amounts of V, Mo, Ni and Hg in several Chinese medicines treating cardiovascular diseases, such as Di Ao Xinxue Kang capsule etc. The results revealed that all Chinese medicines under study are rich in trace elements. Furthermore, the authors’ data exhibit the potential therapeutic effects of V, Mo and Ni in treating cardiovascular diseases. By providing the measurements and fingerprints of trace elements found in Chinese medicines treating cardiovascular diseases, the authors’ report offers theoretical support to the potential effectiveness of trace elements in combating cardiovascular diseases.
		2006 Vol. 26 (12): 2338-2340 [Abstract] ( 2432 ) PDF (372 KB) ( 451 )

	2341	X-Ray Fluorescence Analysis in Archaeometry: Application and Expectation
		ZHU Jian¹, MAO Zhen-wei¹, ZHANG Shi-ding²
		This article describes the applications of X-ray fluorescence in archaeology research, including the appraisal, dating, provenance and mine material origin analysis of cultural relic, the study of manufacturing technics and production of cultural relic, etc. It also suggests some expectation and problems, in order to draw attention of X-ray fluorescence analysts and archaeologists, promote the in-depth development of X-ray fluorescence analysis application in archaeology research, and further make more contributions to Chinese archaeology research.
		2006 Vol. 26 (12): 2341-2345 [Abstract] ( 511 ) PDF (674 KB) ( 454 )

	2346	Studies on Characteristics of Proton-Exchanged LiNbO₃ Optical Waveguides by X-Ray Diffraction and Infrared Absorption Spectroscopy
		FU Yun-liang^{1, 2}, HE Meng-xiong², YUAN Yi-fang³
		The characteristics of proton-exchanged and annealed proton-exchanged LiNbO₃ optical waveguides were studied by X-ray diffraction and infrared absorption spectroscopy. The X-ray diffraction experiments show that there are diffraction peaks of Li_1-xH_xNbO₃ on the left of the main peak of the LiNbO₃ crystal substrate. This result means that the crystal lattice constant of the layer Li_1-xH_xNbO₃ is little larger than that of the LiNbO3 crystal substrate, resulting in a stress. After annealing, the X-ray diffraction peaks of the waveguide layer move towards the main peak of the LiNbO₃ crystal substrate, and the stress decreases. The infrared absorption spectroscopy experiments show that there are absorption peaks of OH^- at 3 500 and 3 300 cm^-1,and after annealing, the intensity of the absorption peak at 3 300 cm^-1 decreases or disappears, while the intensity of the absorption at 3 500 cm^-1 remains almost invariable. Experiments also show that the integral area of the absorption at 3 500 cm^-1 is proportional to te.
		2006 Vol. 26 (12): 2346-2349 [Abstract] ( 525 ) PDF (467 KB) ( 430 )

	2350	Simultaneous Determination of Cr, Cd, Br, Pb, and Hg of Regulated Substances in Electrotechnical Products by XRF Spectrometry
		SONG Wu-yuan¹, ZHENG Jian-guo¹, XIAO Qian¹, ZHOU Ming-hui¹,LIU Zhi-hong²,LIU Li²
		The objective of the present research was to develop a nondestructive technique for the analysis of heavy elements of regulated substances in electrotechnical products using an XRF spectrometer. Reference samples were prepared with in-house reference materials containing the elements Cr, Cd, Br, Pb, and Hg, and calibration curves of all elements exhibited a good linearity from 100 to 1 500 mg·kg^-1. Thus, the calibration curve method was effective in the determination of heavy elements in electrotechnical products. The minimum detection limits (MDLs) calculated with reference material (BCR-681) ranged from 0.27 (Br) to 1.10 mg·kg^-1 (Cd). The interference from background and spectra overlap was discussed. The matrix effect was corrected by experience coefficients, using scattered radiation as an internal standard. The accuracy of the method was evaluated by the analysis of certified reference material of BCR-681. The results are in agreement with certified values with a precision of less than 5.0%.
		2006 Vol. 26 (12): 2350-2353 [Abstract] ( 108 ) PDF (454 KB) ( 939 )

	2354	Trends in Chemical Speciation of Selenium in Living Organisms by Hyphenated Techniques
		YU Hong-wei, CHEN Chun-ying^*, GAO Yu-xi, CHAI Zhi-fang
		In the environment and living organisms, limited concentrations and complexity of selenium compounds constitute challenges to the analytical techniques. Since their biological activities are dependent on their chemical states and structure, the key issue lies in the selective determination of the particular species of selenium, which is beneficial to clearly understanding its biochemical roles in metabolism, physiology, toxicology, nutrition, and clinical chemistry. For these purposes, the advanced analytical techniques are greatly indispensable. In the present paper, the current status and development trends in the speciation analysis of selenium by hyphenated techniques is selectively reviewed with the emphasis on the coupling of electrophoretic or chromatographic separation with atomic spectroscopy and mass spectrometry, which render element-selective detection and identification of selenium compounds.
		2006 Vol. 26 (12): 2354-2359 [Abstract] ( 2156 ) PDF (749 KB) ( 456 )

	2360	Study on Photo-Fenton Reagent Oxidation Processes Used in the Degradation of Direct Fast Light Black G
		ZHENG Huai-li^{1, 2},LIU Hong¹, LI Fang³, HUANG Yu-ming⁴
		Photo-Fenton reagent can degradate dye well. In the present paper, some main factors such as different light sources，the initial pH value，the dosage of Fe²⁺ and H₂O₂, the cation-exchange resin，etc.，which have great influences on degradation, were researched. Through numerous experiments，the optimum condition for dye direct fast light black G degradation was given. The results of the research were as follows：the sunlight can promote this reaction apparently，and the reaction time can greatly be shortened;Under optimal conditions，after the cation-exchange resin was introduced into the Fenton system, the activation of Fenton reagent for degradation reaction was enhanced to a great extent，the degradation effect of direct fast light black G was better，and the ratio of color removal was more than 94% within 40 min.
		2006 Vol. 26 (12): 2360-2363 [Abstract] ( 1644 ) PDF (484 KB) ( 419 )

	2364	Simple Self-Correlative Algebraic Reconstruction Technique
		SONG Yi-zhong^1,2,HU Guo-ying³,HE An-zhi¹
		A new improvement was brought forward in algebraic reconstruction technique (ART), named simple self-correlative algebraic reconstruction technique (SSCART), and its reconstructive result was discussed in detail. With numerical simulation technique, both ART and SSCART were numerically simulated with computer, and discussed in terms of simulated result and reconstructive accuracy with error indexes such as mean-square error (MSE), absolute value error (AVE) and peak error (PE). As a result, the accuracy of SSCART was markedly improved. Its MSE was decreased sixty-five percent compared to that of ART (the difference between MSE of ART and that of SSCART divided by the MSE of ART) at the level of 10^-4 magnitude, and PE decreased ninety-nine point nine percent at the level of 10^-2 magnitude. The iterating program of SSCART was not a new program to ART, but only a simple factor was added to. SSCART was considered a superior reconstruction technique with many good virtues such as simple iterating program, persistent convergent iterating process, and high reconstructive accuracy. It is the most superior iterating reconstruction technique in current ARTs to our knowledge.
		2006 Vol. 26 (12): 2364-2367 [Abstract] ( 2416 ) PDF (471 KB) ( 469 )

	2369	《光谱学与光谱分析》2006年(第26卷)总目次(第1～12期)


		2006 Vol. 26 (12): 2369-2382 [Abstract] ( 772 ) PDF (3653 KB) ( 437 )

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