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2005 Vol. 25, No. 09 Published: 2005-09-26

光谱学与光谱分析

	1377	Calculation of Spectroscopic Parameters of Highly Doped Er³⁺ in Lithium Niobate
		SUN Dun-lu¹, ZHANG Qing-li¹, WANG Ai-hua¹, HANG Yin², ZHANG Lian-han¹, QIAN Xiao-bo², ZHU Shi-ning³, YIN Shao-tang¹
		A highly doped Er³⁺:LiNbO₃ (concentration 6 mol%) crystal was grown successfully by Czochralski method. The absorption coefficient of the grown crystal is higher than that of the lowly doped Er³⁺ in LiNbO₃ crystal, which is helpful to improve the pumping efficiency. The absorption spectra at two unpolarized directions (X and Z) and two polarized directions (E‖Z, E⊥Z) were measured. Using the Judd-Ofelt theory, and according to the measured absorption spectra, the intensity parameters Ω_λ of Er³⁺ were fitted. The results of root-mean square (r.m.s) deviation show that the error of polarized fitting is less than that of unpolarized one. Thus fluorescence transition probabilities (A_JJ′), radioactive lifetime (τ), fluorescence branching ratio (β)，and integrated emission cross section (σ_p) were calculated and accepted according to the polarized results, and were also discussed and compared with the ones reported in the literature.
		2005 Vol. 25 (09): 1377-1381 [Abstract] ( 807 ) PDF (868 KB) ( 473 )

	1382	The Upconversion Mechanisms for the Red and Green Emissions in Er³⁺ Doped and Er³⁺-Yb³⁺ Codopoed Fluoride Materials Based on Experiment
		LEI Jun-hui, XIAO Si-guo, YAN Lei, LIU Zheng-wei
		The rare earth Er³⁺ doped and Er³⁺-Yb³⁺ co-doped fluoride samples were prepared. Under 980 nm laser excitation, the intense red (650 nm) and green (545 nm) upconversion luminescence was obtained corresponding to the transitions ⁴S_3/2, ²H_11/2—⁴I_15/2 and ⁴F_9/2—⁴I_15/2, respectively. For the Er³⁺-Yb³⁺ co-doped fluoride samples, it was found that the ratio of the red upconversion luminescence to the green one decreases as the Er³⁺ concentration increases. The dependence of upconversion intensities on excitation power indicates that two-photon absorption processes are responsible for the upconverted luminescence. The possible upconversion mechanisms of the red and green emissions are discussed based on the energy-matching conditions and the quadratic dependence on excitation power.
		2005 Vol. 25 (09): 1382-1384 [Abstract] ( 1122 ) PDF (830 KB) ( 390 )

	1385	Infrared Photostimulated Luminescence and Optical Storage Compares in Alkaline Earth Sulphide Doped with Mn
		ZHANG Lin, WANG Yong-sheng, SUN Li, LU Cheng-zhu
		The phosphors SrS：Eu and CaS：Eu doped with Mn were prepared by sulfurization flux method (SFM). Infrared photostimulated luminescence (PSL) of both the phosphors were measured. The PSL peak wavelength of SrS：Eu，Mn is 610 nm. Comparing the storage intensities, SrS has better optical properties. The doping of Mn²⁺ increases photon amount and improves the storage properties.
		2005 Vol. 25 (09): 1385-1387 [Abstract] ( 1120 ) PDF (828 KB) ( 646 )

	1388	Infrared and Raman Spectra Studies of DL-Homocysteic Acid (DLH) and Its Lanthanum Complex at High External Pressure
		LI Wei-hong¹, XU Zhen-hua^1*, WU Jin-guang¹, Butler I S²
		DL-Homocysteic acid(DLH, (NH⁺₃)-CH(COOH)-(CH₂)₂-SO^-₃) is extensively in existence as free amino-acid in the central nervous system of mammal. The infrared (IR) and Raman spectra of DL-Homocysteic acid (DLH) and its La complex [La(DLH)₂Cl₃·H₂O=LaL₂] were measured at high external pressure. The DLH has two pressure-induced phase transitions (near 17 kbar and 37 kbar) and three pressure-phase areas below 50 kbar for there are ten intermolecular hydrogen bonds between the DLH molecules. But there is only one pressure-induced phase transition (near 27 kbar ) to be observed in the complex LaL₂. These show that the ten intermolecular hydrogen bonds of the DLH molecules changed due to the formation of complex LaL₂. In infrared spectra, the changing trend of the pressure sensitivities (dν/dp) of symmetry stretching of SO^-₃ in DLH and asymmetry stretching of SO^-₃ in LaL₂ are very different from the other vibrational modes when both compounds undergo high external pressure. In infrared spectra, the average pressure sensitivities of symmetry stretching of SO^-₃ are : low-pressure phase area (0.30 cm^-1·(kbar)^-1)＜middle-pressure phase area (0.32 cm^-1·(kbar)^-1)＜high-pressure phase area(0.41 cm^-1·(kbar)^-1), but 0.86 cm^-1·(kbar)^-1 (low-pressure phase area)＞0.64 cm^-1·(kbar)^-1 (middle-pressure phase area)＞0.26 cm^-1·(kbar)^-1 (high-pressure phase area) to other vibrational modes in DLH. The average pressure sensitivities of asymmetry stretching of SO^-₃ in LaL₂ are lower in low-pressure phase area than in high-pressure phase area, but the average pressure sensitivities of other modes are higher in low-pressure phase area than in high-pressure phase area.
		2005 Vol. 25 (09): 1388-1392 [Abstract] ( 389 ) PDF (849 KB) ( 384 )

	1393	Investigation on the Nitrogen Functionality of Volatile Through FTIR Spectroscopy Equipped with a Long Path Distance Gas Cell
		GUO Xing-ming¹, HUI Shi-en², HAO Ji-ming¹
		Nitrogen functionalities of volatile of three different rank coals, namely TONGCHUAN lean coal, SHENMO bituminite and YIBIN anthracite, were studied by using Fourier transform infrared spectroscopy (FTIR) equipped with 16 m long path distance gas cell. The detection problem of low content of nitrogen in volatile was successfully solved because of the application of the long path distance gas cell. In the long path distance gas cell, the infrared penetrates the sample more times than in a normal gas cell. Results from the analysis of spectra obtained by FTIR show that there are four functionalities of nitrogen in volatile, including pyrrole-type nitrogen, pyrindine-type nitrogen, pyridine-N-oxide nitrogen, and nitrile nitrogen. Comparison of research results of nitrogen group between coal and volatile suggests that the difference in fate of nitrogen between volatile and coal results from the macromolecular nitrogen group of coal decomposition under the effect of temperature.
		2005 Vol. 25 (09): 1393-1396 [Abstract] ( 1118 ) PDF (1628 KB) ( 343 )

	1397	Determination of Glycyrrhizic Acid in Glycyrrhiza Uralensis Fisch by Fiber Optic Near Infrared Spectroscopy
		WANG Li^{1, 2},HE Ying^{1, 2},QIU Zhao-chai², WANG Xiao-ru², LEE Frank S C²
		The objective of this study was to develop a rapid, non-destructive and real-time method for the determination of glycyrrhizic acid in glycyrrhiza uralensis fisch. Near infrared spectra (NIR) in the range of 10 000-4 000 cm^-1 were recorded for the glycyrrhiza uralensis fisch containing glycyrrhizic acid in the content of 0.94%-3.06%. Calibration models were established using the PLS (partial least squares) and PCR (principle component regression) algorithm. Different spectra pretreatments methods were compared. The study showed that PLS model gave better results than PCR with the correlation coefficient 0.958, SEC 0.179(standard deviation of the calibration sets) and SEP 0.197 (standard deviation of the prediction sets). Results indicate that fiber optic NIR method can be used to on-line control the valid component in Chinese herbs.
		2005 Vol. 25 (09): 1397-1399 [Abstract] ( 1604 ) PDF (862 KB) ( 786 )

	1400	Applied Study on Support Vector Machine (SVM) Regression Method in Quantitative Analysis with Near-Infrared Spectroscopy
		ZHANG Lu-da¹，JIN Ze-chen²，SHEN Xiao-nan¹，ZHAO Long-lian²，LI Jun-hui²，YAN Yan-lu²
		This paper introduced the application of support vector machines(SVM) regression method based on statistics study theory to the quantitative analysis with near-infrared (NIR) spectroscopy. Sixty-six wheat samples were used as experimental materials, and thirty-three of them were used as calibration samples. The protein contents and NIR spectra of the calibration samples were used to build SVM regression models by four different kernel functions. The protein content of the predicting samples are estimated by four different SVM regression models. All of the correlation coefficients between the estimated values by different SVM regression models and the standard chemical values of protein content by Kjeldahl’s method are more than 0.97. The average absolute error is less than 0.32. To investigate the predicting effect, it is compared with PLS regression models. The result suggested that the SVM regression, which was built to estimate the protein content of wheat samples, can also be used in the quantitative analysis of real samples by NIR.
		2005 Vol. 25 (09): 1400-1403 [Abstract] ( 1107 ) PDF (827 KB) ( 773 )

	1404	Predicting the Chemical Composition of Intact Kernels in Maize Hybrids by Near Infrared Reflectance Spectroscopy
		WEI Liang-ming^{1, 3}, JIANG Hai-ying¹, LI Jun-hui², YAN Yan-lu², DAI Jing-rui¹
		Intact-kernel samples of normal maize inbred lines and hybrids were collected from field experiments of three locations. Calibration equations were developed by partial least square regression (PLS) of chemical values of near infrared reflectance spectroscopy(NIRS) data and tested through both cross and external validation. In addition, 40 progenies of F₁ and F₂ generation not included in calibration and validation sets were verified to further evaluate the reliability of three calibration equations. The authors found the coefficients of correlation(r) of 0.98, 0.93 and 0.97 between NIRS predicted and actual protein, starch and oil content in these materials, respectively. However, the greatest relative errors were 2.7% (protein), 2.46% (starch) and 7% (oil). Thus, the accuracy of prediction could be comparable to chemical methods. The feasibility of developing NIRS equations with samples of inbred lines to determine grain quality of hybrids was also examined. The analysis of principal components of spectrum of the inbred lines and hybrids supported a new theory that plant spectrum properties could be heritable.
		2005 Vol. 25 (09): 1404-1407 [Abstract] ( 1568 ) PDF (894 KB) ( 791 )

	1408	Characterization of the Orientation of Polymer Material by Non-Polarized Raman Laser Light Spectroscopy
		WU Yan-jie¹, XU Yi-zhuang^2*, ZHAO Ying¹, WANG Du-jin¹, WENG Shi-fu², WU Jin-guang²，XU Duan-fu¹
		The non-polarized Raman laser light was used to investigate the anisotropic polymers including polypropylene fiber, nylon 6 flat fiber, and polyethylene pipe. The Raman spectra of the same samples with different location relative to the incident direction of laser beam show obvious differences. The present result extends the application of Raman spectroscopy to the characterization of oriented polymers samples.
		2005 Vol. 25 (09): 1408-1411 [Abstract] ( 1186 ) PDF (895 KB) ( 656 )

	1412	Surface-Enhanced Raman Spectroscopy in Studies of Corrosion and Inhibition on an Iron Surface
		GU Wei, CAO Pei-gen, GU Ren-ao^*
		Application and advanced achievement of surface-enhanced Raman spectroscopy (SERS) in corrosion and inhibition on an iron surface have been reviewed. As a technology providing the molecular information of material structure, SERS is widely applied to the studies of metal corrosion and inhibition, especially for iron. Applications of this spectroscopy technology are showed in three aspects: the SERS enhancement theory of Fe surface, the adsorbent mode of inhibitions on Fe surface, and the structure of oxidation or passivation film on a Fe electrode. Furthermore, the tendency of farther study is prospected.
		2005 Vol. 25 (09): 1412-1417 [Abstract] ( 1123 ) PDF (905 KB) ( 739 )

	1418	Surface-Enhanced Raman Spectra Studies on Roughened Zn Electrode in Alkaline Solutions
		SHEN Xiao-ying¹, LIU Guo-kun², GU Ren-ao^1*, TIAN Zhong-qun²
		Electrochemical oxidation-reduction method was employed to roughen Zn electrode for obtaining SERS, and potential dependent surface enhanced Raman spectra (SERS) of roughened Zn electrode in KOH solution of different concentration wereobserved. The spectra of Zn electrode in various solutions had obvious differences which indicated the concentration of OH^- had a great effect on the dissolution and passivation of zinc. Based on our experimental results, the authors attempt to analyse the behavior of zinc in alkaline and give the mechanism of its passivation.
		2005 Vol. 25 (09): 1418-1421 [Abstract] ( 1735 ) PDF (893 KB) ( 473 )

	1422	Application of Raman Spectra to the Research of Jades Excavated from Xue Jiagang Site
		WANG Rong¹，FENG Min¹，WU Wei-hong²，GAO Fei¹，WANG Chang-sui¹
		Non-destructive analysis is always the aim in jades’ research. The present article applied the Raman spectroscopy to the research on jades excavated from the Xue Jiagang site and achieved good result in the main mineral, inclusion and phenocryst. The study shows that as a non-destructive technique Raman spectroscopy can be applied to ancient jades conveniently and practically, and it can detect not only the surface information of ancient jades, but also the interior information. The technique is important to the verification and provenance of ancient jades.
		2005 Vol. 25 (09): 1422-1425 [Abstract] ( 203 ) PDF (1716 KB) ( 790 )

	1426	Experimental Study of Raman Spectra of Magnesite at 297 K and at the Pressure of 0.13-1 GPa
		WANG Yu, ZHENG Hai-fei^*
		The experimental study of Raman spectra of magnesite has been conducted at the pressure of 967 MPa and at the temperature of 297 K using a cubic zirconia-anvil cell. The result shows that neither phase transition nor organic substances were observed during compression, and the Raman peak of magnesite shifted to higher frequency with increasing pressure. The relation between the pressure and the Raman peak position of magnesite(1 094 cm^-1) was obtained as follows: ν(cm^-1)=0.007 44×P(MPa)+1 093.3. The value of dν/dP of magnesite is greater than the previous data obtained by Gillet(Ref.[3])，which was mostly taken under the mantle pressure. And at the ambient temperature, magnesite can be used as a pressure gauge, and the relation between the pressure and Raman shift of 1 094 cm^-1 peak position is given as following: P(MPa)=125.8×(Δν_p)1 094+124.7(1 094 cm^-1＜ν_p＜1 101 cm^-1).
		2005 Vol. 25 (09): 1426-1428 [Abstract] ( 1646 ) PDF (818 KB) ( 359 )

	1429	The Structural Studies on Methanol up to 563 K under Pressure
		QIAO Er-wei, ZHENG Hai-fei^*, SUN Qiang
		This paper investigates the structure of methanol by Raman spectrum in diamond anvil cell up to 563 K. The result shows that pressure increases at elevated temperature, but the effect of pressure on the stretching vibrational modes of C—H is inverse to that of temperature. The action of temperature is weaker than that of pressure. So the spectral profile of stretching vibrational modes of C—H gradually changes and the Raman shift moves to higher frequency with increasing temperature and pressure, indicating that the bonding energy of C—H bonding increases with temperature and psessure. In addition, the increase of the relative peak area of O—H stretch band with both the temperature and pressure indicates that the total intensity of O—H bonding is greater compared with that of C—H bonding. Thus, it can be inferred that the higher pressure might slow down the transforming process of kerogen to hydrocarbon under the geological condition.
		2005 Vol. 25 (09): 1429-1431 [Abstract] ( 1138 ) PDF (834 KB) ( 473 )

	1432	Crystal Growth and Spectroscopy of Er/Yb:KGW Crystal
		ZHU Zhao-jie, TU Chao-yang^*, LI Jian-fu, WU Bai-chang, HUANG Yan
		The Er³⁺/Yb³⁺:KGW crystal with the dimensions of 30 mm×25 mm×15 mm was grown from K₂W₂O₇ solvent by modified Czochralski method. The absorption spectrum was measured at room temperature and its absorption peaks were assigned. The emission spectrum was obtained under the excitation of 980 nm. There are two broad emission bands at 1 024 and 1 535 nm, whose FHWM are 60 and 36 nm respectively. It shows that this crystal is suitable for InGaAs LD pumping, and may be a promising laser crystal tunable at near 1 024 and 1 535 nm.
		2005 Vol. 25 (09): 1432-1434 [Abstract] ( 1059 ) PDF (839 KB) ( 381 )

	1435	Spectral Study on the Interaction Mechanism between Thionine and Calf Thymus DNA
		DU Jiang-yan¹, HUANG Xiao-hua², XU Fei², FENG Yu-ying², XING Wei¹, LU Tian-hong^{1, 2*}
		The interaction mechanism of thionine (TH) and calf thymus DNA (CT-DNA) was studied with UV-Vis absorption spectroscopy, fluorescence spectroscopy, circular dichroism (CD), and X-ray photoelectron spectroscopy (XPS). It was demonstrated that in the pH 7.2 phosphate buffer solution, the interaction of TH and CT-DNA is in the intercalative mode. The absorbance of the absorption peak of TH decreases and the peak position shifts to the red direction. The binding constant (K) of TH with CT-DNA is 1.45×10⁴ mol·L^-1. The fluorescence intensities of TH decrease drastically with increasing the concentration of CT-DNA. The Stern-Volmer quenching constant (K_SV) was calculated to be 1.01×10⁴ mol·L^-1. The intercalative sites are mainly located at the G-C sequences of the CT-DNA molecule through the S atom in the TH molecule according to the experimental data obtained from the fluorescence spectra and XPS analysis. The secondary structure conformation of CT-DNA is changed due to its interaction with TH.
		2005 Vol. 25 (09): 1435-1438 [Abstract] ( 1847 ) PDF (854 KB) ( 666 )

	1439	Synthesis and DNA Binding Spectroscopy Studies of Cu(Ⅱ)-Thr-Phen
		ZHANG Fang，ZHANG Qian-qian^*，ZHU Chen-jian，WANG Xiu-lin
		A new complex [Cu (Thr)(Phen)H₂O]SO₄·H₂O·CH₃OH (Thr=DL-Threonine, Phen=o-Phenanthroline)，which has not been published, was synthesized and characterized by elemental analysis, IR spectroscopy, and TG-DTA. The interaction of the complex and sperm DNA was studied by electronic absorption and ethidium bromide (EB) fluorescence spectroscopy. The result indicates that the maximal absorption peaks of this complex are red-shifted and the intensity is weakened; At the same time, it can to some extent quench the emission intensity of EB-DNA system. Therefore, the authors come to a conclusion that the interaction of this complex and sperm DNA is intercalation.
		2005 Vol. 25 (09): 1439-1442 [Abstract] ( 1114 ) PDF (890 KB) ( 532 )

	1443	Interaction of Surface Active Fluorescence Probes and Bovine Serum Albumin
		XU Tong-kuan, LI Na, SHEN Xing-hai^*, GAO Hong-cheng
		The binding between two surface-active substituted 3H-indole fluorescence probes, i.e., iodo-dihexadecyl methyl-2-(p-dodecyl amino phenyl)-3, 3-dimethyl-5-carboethoxy-3H-indole ammonium and iodo-dimethyloctadecyl-2-(p-dodecyl amino phenyl)-3,3-dimethyl-5-carboethoxy-3H-indole ammonium, and bovine serum albumin (BSA) in aqueous solution was studied using fluorescence. The binding constant and binding site number of molecule 1 and molecule 2 with BSA were obtained. It was confirmed that electrostatic interaction is the primary driving force for the combination of BSA with molecule 1 or molecule 2. According to the Frster resonance energy transfer theory, the distances between molecule 1, molecule 2 and tryptophan of BSA were calculated to be 2.90 nm and 4.02 nm, respectively.
		2005 Vol. 25 (09): 1443-1445 [Abstract] ( 1089 ) PDF (827 KB) ( 380 )

	1446	Spectral Properties, Protonation and Fluorescence Quantum Yield of Ciprofloxacin
		LIU Cui-ge^1,2, XU Yi-zhuang^1*, WEI Yong-ju², ZHAO Jing², QI Jian¹, WANG Xin-hong², XU Zhen-hua¹, WU Jin-guang¹
		Fluorescence spectra, ultraviolet absorption spectra, and protonation of Ciprofloxacin (CIP) at different pH values have been studied. Fluorescence quantum yield of CIP under neutral condition has been measured. In HCl medium with [H⁺] ＞1 mol·L^-1, CIP molecules (simplified as HL) may accept three protons to exist as H₄L³⁺ with very weak fluorescence, and its maximum fluorescence emission wavelength (λ_ｍａｘ) is 456 nm. In acidic solution of pH 0 to pH 2, CIP mainly exists as H₃L²⁺ form with λ_ｍａｘ at 450 nm, and fluorescence intensity is relatively weak and increases with increasing of pH. In the range of pH 2 to pH 4, CIP mainly exists as H₂L⁺ form with a strong fluorescence, and λ_ｍａｘ is still at 450 nm. When pH＞4, λ_ｍａｘ gradually blue-shifts to 414 nm, fluorescence intensity slightly decreases as pH increases, and at the same time an evident change in ultraviolet absorption spectrum is observed, indicating that H₂L⁺ has lost proton to exist as dipole ion form HL. When pH＞8, the fluorescence intensity decreases until disappearance as pH increases, indicating that HL has lost proton to exist as non-fluorescence anion ion form L^-. In the molecular form changing process, the maximum excitation wavelength of CIP is essentially constant at 275 nm, but the maximum emission wavelength changes obviously. In a buffer solution with pH 7.0, and using quinine bisulphate as a reference, the fluorescence quantum yield of CIP at maximum excitation wavelength 275 nm was measured to be 0.12.
		2005 Vol. 25 (09): 1446-1450 [Abstract] ( 1960 ) PDF (918 KB) ( 702 )

	1451	Fluorescence Spectroscopy Study of Humen Serum Albumin Quenched by Levofloxacin
		CHEN Xiao-bo, KANG Dong-guo, LI Song，ZHAO Cheng-yi, CHEN Xiao-shan
		The fluorescence spectroscopy of humen serum albumin(HSA) and the interaction of HSA and the Levofloxacin were studied. When the Levofloxacin was added into HSA solution gradually, an interesting new phenomenon emerged in emission spectrum peak. The intensity of 343.70 nm emission peak of HSA decreased obviously and moved towards long-wavelength, which is a typical quenching phenomenon. It was found that the excitation peak of HSA was positioned at 286.70 nm also. A new emission peak emerged at 503.96 nm, which resulted from the Levofloxacin. The excitation peaks of 503.96 nm fluorescence of Levofloxacin were positioned at 300.16 nm and 336.16 nm. When Levoflaxasin was added into HSA gradually, the 300.16 nm and 336.16 nm excitation peaks moved towards long wavelength. The dissociation constant of Levofloxacin from HSA is about K_d=3.65×10^-5(mol·L^-1). The combination constant of Levofloxacin is about K_S=2.742×10⁴(L·mol^-1). The quenching process of Levofloxacin-HSA is not dynamic quenching, which resulted from the molecular diffusion and collision. It is caused by the static quenching process resulting from the chemical component between molecules. The energy transfer efficiency between Levofloxacin and HSA is E=0.372. According to these calculation results, the combination position between the binding site of Levofloxacin and the tryptophane of HSA is about R=1.933 nm.
		2005 Vol. 25 (09): 1451-1455 [Abstract] ( 1683 ) PDF (921 KB) ( 450 )

	1456	Fluorescence Spectroscopic Study on the Monoammonium Glycyrrhizinate-Bovine Serum Albumin Supramolecular System
		YU Ying^1，2,ZHOU Zhen-tao¹
		The fluorescence quenching mechanism of bovine serum albumin (BSA) by monoammonium glycyrrhizinate (MAG) has been studied. It is proved that static quenching exists in the MAG-BSA supramolecular complex. The formation constant K_A and the thermodynamic functions (such as ΔG, ΔH and ΔS) for the reaction have been all obtained. According to the thermodynamic parameters, the main sort of binding force was electrostatic force. The effect of various metal ions and temperatures on the formation constant of MAG with BSA was also studied. The binding distance between MAG and BSA and the transfer efficiency have been obtained based on the mechanism of Frster energy transfer. The effect of MAG on the conformation of BSA has also been analyzed using synchronous fluorescence spectroscopy.
		2005 Vol. 25 (09): 1456-1459 [Abstract] ( 1093 ) PDF (903 KB) ( 444 )

	1460	Study the Characteristics of Dissolved Organic Matter and Turbidity of Water Using Laser Induced Fluorescence and Laser Scattering
		ZHAO Nan-jing, LIU Wen-qing, LI Hong-bin, CUI Zhi-cheng, ZHANG Yu-jun, LIU Jian-guo, DING Zhi-qun,YANG Li-shu
		In the experiment a frequency doubled radiation of Nd:YAG laser was used for excitation at 532 nm. The fluorescence spectra of dissolved organic matter (DOM) and chlorophyll a (Chl-a) in several types of water samples with laser-induced fluorescence (LIF) measurements using a 532 nm wavelength excitation source were measured in the laboratory, and the spectral characteristics of DOM and Chl-a were analysed. The characteristics of turbidity were investigated by measuring the amount of scattering light of suspended particles in the water volume. The curve of scattering intensity against corresponding turbidity of SiO₂ is showed. The possibilities of water quality monitoring based upon the fluorescence spectral characteristics of contaminations and the turbidity by means of LIF method.
		2005 Vol. 25 (09): 1460-1462 [Abstract] ( 1639 ) PDF (837 KB) ( 647 )

	1463	Study on UV-Visible DOAS System Based on Photodiode Array (PDA)
		QIN Min，XIE Pin-hua，LIU Jian-guo，LIU Wen-qing，FANG Wu，LU Fan，LI Ang，LU Yi-huai，WEI Qing-nong，DOU Ke，ZHANG Wei-jun
		A long-path differential optical absorption spectroscopy (DOAS) system is introduced. A photodiode array is employed as the detector to replace the complicated SD detector which consists of a PMT and a slotted disk. The properties of the detector and the spectrometer unit such as offset, dark current, noise, linearity, resolution, and wavelength range were measured. This system was also tested to measure SO₂ and NO₂ in the atmosphere. The detection limits of this system for SO₂, and NO₂ over a 713 m light path were determined.
		2005 Vol. 25 (09): 1463-1467 [Abstract] ( 1197 ) PDF (983 KB) ( 402 )

	1468	Determination of Fleroxacin by Photochemical Fluorescence of Zinc-Fleroxacin Complex
		FENG Rui-qin, DING Fen, LIU Yu
		Based on the complex formed by Zn²⁺ which can strengthen the relative fluorescence intensity of fleroxacin evidently, a novel photochemical fluorescence method was developed. The effects of the acidity, the concentration ratio of Zn²⁺ to fleroxacin，and the time for illumination were studied. Under the optimum experiment conditions, the linear range of the determination was 5.00×10^-8-5.00×10^-6 mol·L^-1. The detection limit was 4.2×10^-8 mol·L^-1. The relative standard deviation of the determination of fleroxacin (5.0×10^-7 mol·L^-1) was 1.7% (n=20). The method was successfully applied to the determination of fleroxacin in specimens, and the recoveries were in the range of 95.0%-105%. The mechanism of this system is proposed.
		2005 Vol. 25 (09): 1468-1470 [Abstract] ( 244 ) PDF (871 KB) ( 395 )

	1471	Study on the Reaction of Proteinase from Bacillus Subtilis with Alizarin Complex
		WANG Xing-ming¹，DONG Fa-qing¹，DING Li-sheng²，YANG Ding-ming¹，SHI Rong-ming¹
		The interaction of bacillus subtilis proteinase(BSP) and Alizarin Complex(ALC) was investigated by spectrophotometric method in acidic solution(pH 4.20). When BSP was added into ALC, a red color was observed, which indicated the formation of BSP-ALC associated compound. The maximum absorption of the red color coordination compound was obtained at 510 nm. It was found that the red shift of maximum absorption of the complex was 85 nm. According to balance percolation method, molar ratio method and double wavelengh method, the apparent molar absorptivity ε_B＝6.68×10³ L·mol^-1·cm^-1. Conditional constants were defined, the maximum binding number n＝10, and the apparent binding constant K＝7.25×10⁶ L·mol^-1. It was found that Scatchard model is appropriate in the treatment of data obtained here.
		2005 Vol. 25 (09): 1471-1474 [Abstract] ( 1042 ) PDF (839 KB) ( 366 )

	1475	Spectral Research on the Effect Various Metal Ions on the of Photocatalytic Degradation Properties of TiO₂ Nanocrystal
		CHEN You-cun¹, ZHU Jing-miao¹, ZHANG Yuan-guang¹, ZHOU Geng-tao²
		TiO₂ nanocrystalline was prepared by a emulsion method in the mixed solvent of cyclohexane and acetic anhydride using titanyl organic compound as the precursor. The prepared product was characterized by means of X-ray diffraction (XRD) and Fourier transform infrared spectrum (FTIR). The photocatalytic oxidation of methyl orange with TiO₂ loaded with various metal ions was discussed. The spectral research results showed that the photocatalytic reaction of methyl orange with TiO₂ loaded with Bi³⁺ was promoted， some metal ions caused almost no promotion of TiO₂ oxidation of methyl orange, and Ni²⁺ and Fe³⁺ ions caused a little promotion. The best mass proportion of Bi³⁺ and TiO₂ was defined as 1∶8, which has a good photocatalytic activity. The photocatalytic degradation reaction of methyl orange was affected by the concentration of TiO₂ nanocrystal, and when the mass proportion of Bi³⁺ and TiO₂ is 1∶8, the best photocatalytic activity concentration of TiO₂ is about 1.6 g·L^-1.
		2005 Vol. 25 (09): 1475-1477 [Abstract] ( 1034 ) PDF (823 KB) ( 386 )

	1478	Spatial Orientation Interaction Mechanism of Three Component Complex of Protein ——BSA/SDS/Azur a System
		CAO Wen-gen^{1, 2}, JIAO Qing-cai¹,LIU Qian¹
		The interaction of bovine serum albumin (BSA)，sodium dodecyl sulphate (SDS) and Azur A(AA) was studied by spectral probe. The influence of the molar ratio of SDS/BSA on the absorption spectra of BSA-SDS-AA complex was investigated. It was found that the new absorption peak and color changes generated by BSA-SDS-AA complex arose from the difference in the spatial orientation aggregative degree of AA binding on BSA-SDS-AA complex.
		2005 Vol. 25 (09): 1478-1481 [Abstract] ( 1118 ) PDF (853 KB) ( 407 )

	1482	Synthesis and Spectral Characterization of Rare Earth Complexes of Acylpyrazolone-β-Alanine
		LI Jin-zhou, YU Zhi-gang, AN Yu-mei, YANG Yu
		In non-aqueous solvent, a new amino-acid schiff base, 1-phenyl-3-methyl-4-benzoyl pyrazolone-5-β-alanine (HL) was synthesized by a reaction of β-alanine with benzoylpyrazolone, and its ten rare earth complexes were obtained from refluxing a solution of schiff base and rare earth nitrates. On the basis of elemental analysis and molar conductance, the general formula of the complexes, [REL₂NO₃]·nH₂O (RE=La, Sm, Eu, Tb, Y, n=2; RE=Pr, Nd, n=1; RE=Dy, Er, Yb, n=3), is given. These were characterized by IR, UV-Visible, ¹H NMR, ¹³C NMR and fluorescence. The results show that the schiff base is a tridentate ligand，and the rare earth ions exhibit a coordination of eight in the complexes. In visible spectra, the supersensitive transitions of the Er complex at 522 nm (⁴I_15/2→²H_11/2, ⁴S_3/2) and that of the Nd complex at 573, 584 nm (⁴I_9/2→²G_7/2+⁴G_5/2) can be observed. Fluorescence of the complexes was produced principally by f-f transition of central ion RE³⁺, and the ligand has little influence on lightening role. The order of relative intensity of fluorescence of the complexes is I_Tb＞I_Sm＞I_Eu＞I_Dy.
		2005 Vol. 25 (09): 1482-1485 [Abstract] ( 1447 ) PDF (880 KB) ( 762 )

	1486	Thermochemical Studies on the Binding Reaction of Perseleno Diphenyl 2,2’-Diformic Acid with Bovine Serum Albumin
		YAN Cheng-nong¹，SHANGGUAN Yun-feng¹，LIU Yi², HOU An-xin², QU Song-sheng²
		The binding of newly compounded perseleno diphenyl 2,2’-diformic acid to bovine serum albumin(BSA) was studied at different temperatures using fluorescence spectrum and UV spectrum. The fluorescence quenching data was analyzed according to Stern-Volmer equation and Lineweaver-Burk double-reciprocal equation. It was showed that this quenching complies better with the charactristic of static fluorescence quenching. The binding constant, thermodynamic parameters, and the binding spot of the compound with certain structure, coming from perseleno diphenyl 2,2’-diformic acid and bovine serum albumin, were obtained. Besides, the mechanism of static fluorescence quenching and the quality of binding power were both discussed. The information of the binding mode, the mechanism of its transportation, and some medical theories in human body were offered.
		2005 Vol. 25 (09): 1486-1489 [Abstract] ( 1584 ) PDF (862 KB) ( 480 )

	1490	The Reaction Mechanism between Cefoperazone and Human Serum Albumin
		LIU Luo-sheng¹，ZHANG Yu-yi²，WANG Xing-po¹
		The reaction mechanism between cefoperazone and human serum albumin(HSA) and the affinity between cefoperazone and β-lactamase were investigated by spectrometry and spectrofluorimetry. The interaction dissociation constants of human serum albumin and cefoperazone have been determined from a double reciprocal Lineweaver-Burk plot. The binding distance and the transfer efficiency between cefoperazone and HSA were also obtained according to the theory of Frster’ non-radiation energy transfer. The result suggested that the main binding force between cefoperazone and HSA is electrostatic force interaction. The high β-lactamase stability of cefoperazone may be correlative with its molecular structure. The antibiotic activity and valency connect with transfer efficiency and dissociation constant. The effect of cefoperazone on the conformation of HSA was also analyzed using synchronous fluorescence spectrometry.
		2005 Vol. 25 (09): 1490-1492 [Abstract] ( 1591 ) PDF (900 KB) ( 591 )

	1493	Spectrum Studies and Application of the Reaction System Phenthroline-EBT-H₂O₂
		ZHOU Yun-you, GAO Feng, SHE Shi-ke, LU Qin, WANG Lun^*
		A kinetic spectrophotometric method for the determination of trace phenthroline was proposed. The method is based on the inhibition of phenthroline to the discoloring reaction of EBT oxidized by hydrogen peroxide in the dilute acetic acid solution. At the same time, the kinetic parameters were studied in detail. Under optimum experimental conditions, the linear range is 0.003-0.08 mg·L^-1, and the detection limit is 4.0 μg·L^-1. The method is simple，rapid, and easy to operate. The method was applied to the determination of trace phenthroline in water samples with satisfactory results.
		2005 Vol. 25 (09): 1493-1495 [Abstract] ( 211 ) PDF (860 KB) ( 600 )

	1496	Simultaneous Determination of Germanium and Some Major Ash Forming Elements in Lignites Using a Dual-View ICP-OES
		ZOU Ben-dong¹, AODENG Gao-wa¹, SHANG Hong-shan², QI Lu²
		In this article, an ICP-OES method of simultaneous determination germanium and some major ash forming elements especially for Fe, Al, Ca, Mg, K, Na, Ti in lignites is described. An ICP-OES instrument equipped with a dual-view plasma torch and a simultaneous detector was used. This technology allows the simultaneous determination of trace elements and major components in the axial view along with in the radial view. The moderate operation condition of the instrument and analytical wavelength lack of interference from elements in the sample matrix was selected, the spectral background was automaticly eliminated. The obtained coal ashes were dissolved in mixtures of nitric acid, hydrofluoric acid and perchloric acid after coal samples were cinerated. The analytical results were in good agreement with those provided by national standard methods. The detection limit of the instrument is ranged between 0.000 39-0.10 μg.·mL^-1, the precision of the method is in the range of 0.79%-2.84%, the average recovery of samples is 92.38%, the proposed method is well suitable for the determination germanium and some major ash forming elements in lignites.
		2005 Vol. 25 (09): 1496-1499 [Abstract] ( 1702 ) PDF (868 KB) ( 407 )

	1500	Determination of Ten Trace Rare Earth Elements in the Sample by Atomic Emission Spectrometry
		LI Hui-zhi, ZHAI Dian-tang, ZHANG Jin, PEI Mei-shan
		This paper describes the determination of trace La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Yb and Lu in the sample, using carbon powder，potassium sulfate, barium sulfate, strontium sulfate, and scandium chloride as buffer, by atomic emission spectrometry(AES). Scandium was selected as internal standard line. Sample separation and chemical treatment were not required. The sample was directly loaded into ordinary electrode. The method is simple, rapid and accurate. The determination requirement and influence factors were studied. A new method was developed for the determination of ten rare earth elements, for which the detection limit is smaller than 0.030%, and the range of the recovery is 94%-105%. The results of these elements in standard sample are in agreement with certified values, and the RSD is smaller than 5% (n=9). The method has been applied to the determination of ten rare earth elements with satisfactory results.
		2005 Vol. 25 (09): 1500-1502 [Abstract] ( 1659 ) PDF (846 KB) ( 664 )

	1503	Determination of Cadmium, Chromium and Lead in Lycoris Radiata with Microwave Digestion Technique by Graphite Furnace Atomic Absorption Spectrometry
		FAN Hua-jun^1，2，LI Gong-ke^1*，LUAN Wei¹，CAI Pei-xiang¹
		A new method using microwave digestion technique was developed for the determination of cadmium，chromium and lead in Lycoris radiata by graphite furnace atomic absorption spectrometry (GFAAS). Digestion solvents were discussed for sample preparation by microwave digestion technique. The optimum condition of determination by GFAAS was studied in the presence of NH₄H₂PO₄ matrix modifier. The detection limits of Cd, Cr and Pb are 0.066 7, 1.22 and 0.810 μg·L^-1，respectively. The method was applied to the determination of Cd, Cr and Pb in Lycoris radiata samples with satisfactory results. The RSD of determination were lower than 3.1%. The recoveries were from 83.8% to 118 %.
		2005 Vol. 25 (09): 1503-1506 [Abstract] ( 208 ) PDF (877 KB) ( 455 )

	1507	Determination of Copper, Zinc，Iron，Calcium and Magnesium in Pueraria Lobata Ohwi by FAAS
		HAN Ping^1，2，LIU Li-e¹，LIU Jie¹，ZHANG Hong-quan^1*，WU Yu-ming¹，WU Yong-jun¹，YU Fei¹，WU De-sheng²
		The samples of pueraria lobata ohwi were digested by HNO₃+HClO₄. Copper，zinc，iron，calcium and magnesium in pueraria lobata ohwi from Da Bieshan were successfully determined by flame atomic absorption spectrophotometry(FAAS). The results showed that there are rich grand elements，such as Ca and Mg, and profitable elements，such as trace elements Cu, Zn and Fe，in pueraria lobata ohwi. The content sequence of metal elements is as follows: Copper: leaves＞flowers ＞rattans＞roots; Zinc: leaves＞flowers＞rattans＞roots; Iron: roots＞rattans＞leaves＞flowers; Calcium: leaves＞roots＞flowers＞rattans; Magnesium: flowers＞roots＞leaves＞rattans. The results provided useful data for discussing the relationship between the metal elements in pueraria lobata ohwi and the cure for cerebrovascular diseases and hypertension diseases.
		2005 Vol. 25 (09): 1507-1509 [Abstract] ( 1744 ) PDF (804 KB) ( 705 )

	1510	Determination of Fourteen Trace Elements in Chinese Traditional Medicines by Atomic Absorption Spectrometry
		LIU Yan-ming, WANG Hui, HAN Jin-tu, CHANG Hong-chao, PENG Qin-long
		Seven kinds of Chinese traditional medicines, including laoniankechuan tablet, fufangbanxia tablet, weitongning tablet, quanshen tablet, shengshijiangtang capsule, xiasangju particle, and American yangshen tablet, were digested with HNO₃-HClO₄ mixed acid. The fourteen trace elements, including calcium, magnesium, iron, zinc, potassium, sodium, manganese, copper, chromium, cobalt, strontium, nickel, cadmium and lead in the drugs were determined by atomic absorption spectrometry. The effects of the type of mixed acid, the ratio of HNO₃ to HClO₄ in mixed acid, the volume of digesting solution, and the digesting time were also investigated in detail. The results obtained show that the concentrations of Ca, Mg, Fe, K and Na in seven kinds of Chinese traditional medicines are higher than those of other elements. Moreover, shengshijiangtang capsule for the treatment of diabetes contains plenty of Mn, and weitongning tablet for the treatment of stomach disease contains plenty of Sr, Mn and Cu.
		2005 Vol. 25 (09): 1510-1513 [Abstract] ( 1720 ) PDF (871 KB) ( 824 )

	1514	Preconcentration with Crosslinked Chitosan for Determination of Trace Manganese in Waters by Flame Atomic Absorption Spectrometry
		XUE Ai-fang, CHEN Hao^*, LUO Xing-cai, WU Yu-qiong, XIE Jin-song
		A novel method for the preconcentration with crosslinked chitosan(CCTS) and determination of trace manganese in waters by flame atomic absorption spectrometry has been presented. The absorption rate of manganese(Ⅶ) by CCTS was 98% at pH 3.00. The effect of preconcentration time, dosage of CCTS, temperature, sample volume and co-existing elements have been investigated. The mechanism of adsorption of CCTS for Mn(Ⅶ) was also discussed. The detection limit of the method was 1.86 μg·L^-1, and the relative standard deviation (RSD) was 2.0%(n=10). The method has been applied to the determination of trace manganese in south lake and changjiang water with satisfactory results.
		2005 Vol. 25 (09): 1514-1517 [Abstract] ( 1938 ) PDF (890 KB) ( 371 )

	1518	Analysis of Lead Contents in Edible Nuts by AAS
		FU Ying, YANG Bo
		The contents of the pollutant element, lead, in edible nuts were determined by flame atomic absorption spectrophotometry. The linear relationship over the range of 0.00-2.00 μg· mL^-1 is good(r=0.999 1). The recovery is in the range of 94.0%-102.0% and the RSD is below 4.64%(n=5). The method is simple and the results are accurate. It can be used as a monitor method for lead in edible nuts. The results show that the pollutant element lead exists commonly in edible nuts. The plants were affected by water, soil and atomsphere during growing, and can absorb lead in environment.
		2005 Vol. 25 (09): 1518-1519 [Abstract] ( 1057 ) PDF (784 KB) ( 409 )

	1520	The Effect of the Photoelectric Detector on the Accuracy of the Spectrometer
		YANG Huai-dong, XU Li, CHEN Ke-xin, HE Qing-sheng, HE Shu-rong, TAN Qiao-feng, JIN Guo-fan
		An optimized photoelectric detector will increase the precision of a spectrometer, thus indicates an important way to develop high performance spectrometer. With an eye to this, a model describing the process that spectrogram is integrated and sampled by photoelectric detector and restored after low-pass filtering is developed. Based on the model, the influence of the characteristic parameters of the detector on the spectral line in the frequency domain is analyzed and the relation between the full width half maximum (FWHM) of the spectra line and the integral interval, sampling space and sensitivity of the detector is deduced. The conclusion indicates that both the integral interval and sampling space should be 1/6 of the FWHM for a spectral line with gaussian profile as a result of compromise between accuracy and feasibility. Moreover, the critical point deciding the right situation for scanner and array detector is given. Other guide line to optimize the photoelectric detector and increase accuracy is suggested also.
		2005 Vol. 25 (09): 1520-1523 [Abstract] ( 246 ) PDF (885 KB) ( 825 )

	1524	Exact Expressions for Bend Phenomena of Spectral Line and Spectral Band of Spectrometer
		Bayanheshig
		In this paper the grating equation and integrate expression of diffractive polar angle and the azimuthal angle with arbitrary angle of incidence are described based on the vector diffraction theory. The exact calculation formulae for bend quantity of spectral line and spectral band of plane grating spectrometer are given, and two kinds of angular dispersion expression of corresponding diffractive polar angle and azimuthal angle are also presented. The calculated results of the exact spectral line bend formula are compared with those of approximate formulae. The effects of the height of incident slit on dispersion capability are examined by values. Because no approximations are performed during the above deduction of each formula and all factors that lead to the bend of spectral line and spectral band are concerned, the given formulae in the paper are more comprehensive and reliable than all the approximate formulae used before. Consequently, these formulae can be used as a theory criterion by which the actual spectral instrument is designed, tested, equipped, adjusted and used.
		2005 Vol. 25 (09): 1524-1529 [Abstract] ( 1104 ) PDF (913 KB) ( 659 )

	1530	Detection of Trace Organic Compounds by Using Ion Mobility Spectrometry and SIMPLISMA
		ZHANG Zhuo-yong¹, CHEN Guo-xiang², Harrington Peter de B²
		Ion mobility spectrometry (IMS) is a sensitive means for detection of trace volatile organic compounds. This technique has been used as a routine method for some organic compounds in forensic science, environmental and pharmaceutical analysis, etc. SIMPLISMA (simple-to-use-interactive self-modeling mixture analysis) is an effective method for large-scale data processing. In the present work, SIMPLISMA has been applied to process IMS data of three methanephosphonate esters. The SIMPLISMA can retain the peak characteristics and eliminate much of the noises of the IMS measurements. The processed spectral data can be subsequently used for other computations, such as curve resolution and pattern recognition etc.
		2005 Vol. 25 (09): 1530-1533 [Abstract] ( 1152 ) PDF (960 KB) ( 429 )

	1534	Determination of Mean Electron Energy in O₂ Non-Equilibrium Plasma by Relative Spectrum Line Intensity
		DONG Li-fang，YIN Yan
		The process of O₂ non-equilibrium plasma is simulated by Monte Carlo method. The electron drift velocity as a function of E/N is given, which is in good agreement with experimental result. The variations of mean electron energy and the number density of electronic excitation states of O₂ with the reduced field E/N are simulated. A method to determine the mean electron energy by relative spectrum line intensity is proposed, which is of great importance to the applications of non-equilibrium plasma in many fields such as material preparation, laser application, micro-electronics technology and so on.
		2005 Vol. 25 (09): 1534-1535 [Abstract] ( 1056 ) PDF (804 KB) ( 544 )

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