Spectroscopy and Spectral Analysis
Co-Editors-in-Chief
Song Gao
WEI Yuan-fei, ZHAO Fu-li, SHEN Peng-gao, and WU Shi-qiang

Physical mechanism of supercontinuum generation in photonic crystal fiber by femtosecond laser pulse has beeo investigated experimentally. In this study, we used the tunable output wavelength Ti: sapphire optical parametric amplifier as the pump source and the fiber spectrometer acquired the spectrogram of supercontinuum generation in photonic crystal fiber under different power and wavelength conditions, then we normalized the spectrograms and make a comparison of them. PCF supercontinuum differences affected by physical mechanisms were analyzed. We found that when increasing the incident pump pulse power, the spectral width will be gradually widened, there are more peaks, part of the energy will transfer in to the short-wavelength region; as long as it reaches a certain intensity, width of supercontinuum finally saturated, the shape of supercontinuum was also stabilized. As the incident power was settled at 300 milliwatt and the length of PCF was settled at 105 millimeter, experimental results show that width and shape of supercontinuum are affected by the wavelength of pump pulse, in the range of 760 to 840 nm, there appears more and more peaks with the increase of incident wavelength; at anomalous dispersion the spectrogram of supercontinuum generation will be more flat and more wider as the wavelength of pump pulse closer to zero point.

Jan. 01, 1900
  • Vol. 35 Issue 12 3283 (2015)
  • WU Jun

    Geometry optimization and harmonic vibrational frequency calculations were performed on the 1A1 state of CCl2 and 2B1 state of CCl-2 at the B3LYP, MP2, CCSD levels. Franck-Condon analysis and spectral simulations were carried out on the photoelectron band of CCl-2 including Duschinsky effects. The simulated spectra obtained are in excellent agreement with the experiment. Note that Duschinsky effect between bending vibration and the symmetric stretch modes should be considered in the CCl2(1A1)-CCl-2(2B1) photodetachment process. By combining ab initio calculations with Franck-Condon analyses, the assignment of spectrum observed is firmly established to the 1A1-2B1 photodetachment process of the CCl-2 radical, and the recommended geometric parameters of which in the literature are confirmed again base on ab initio theory and IFCA process.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3287 (2015)
  • YANG Peng, ZHAO Xin, WANG Zhi-qiang, and LIN Hai

    Ce3+ and Tb3+ doped alkaline earth borate (LKZBSB) glasses and the photoluminescence properties of glass system have been fabricated and investigated, and the observed violet and green fluorescences are originated from Ce3+ and Tb3+ emitting centers, respectively. Four emission bands peaked at 487, 543, 586 and 621 nm are attributed to the emission transitions 5D4→7F6, 5D4→7F5, 5D4→7F4 and 5D4→7F3 of Tb3+, respectively, and consists of a broad emission band peaking at 389 nm attributed to 5d→4f electric dipole allowed transition of Ce3+. With the introduction of Ce3+, the effective excitation wavelength range of Tb3+ in LKZBSB glasses are remarkably expanded, and the enhanced factor of green fluorescence of Tb3+ in Ce3+/Tb3+ co-doped LKZBSB glasses is up to 73 times in medium-wavelength ultraviolet (UVB) excitation region, compared with that in Tb3+ single-doped case. The results show that the conversion from ultraviolet (UV) radiation to visible light is efficient in Ce3+/Tb3+ doped LKZBSB glasses, demonstrating that the glasses have potential values in developing enhanced solar cell as a conversion layer.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3291 (2015)
  • ZHANG Xiao-wen, MO Bing-jie, LIU Li-ming, WANG Hong-hang, CHEN Er-wei, XU Ji-wen, WANG Hua, and WEI Bin

    Highly efficient bilayer-structure yellow-green organic light-emitting device (OLED) has been demonstrated based on MADN as hole-transport layer (HTL) and host-guest coped system of [Alq3∶0.7 Wt%rubrene] as emitting and electron-transport layer. The device gives yellow-green emission through incomplete energy transfer from the host of Alq3 to the guest of rubrene. An electroluminescent peak of 560 nm, 1931 CIE color coordinates of (0.46, 0.52) and a maximum current efficiency of 7.63 cd·A-1 (which has been enhanced by 30% in comparison with the counterpart having conventional NPB HTL) are observed. The hole-transporting characteristics of MADN and NPB have been systematically investigated by constructing hole-only devices and employing impedance spectroscopy analysis. Our results indicate that MADN can be served as an effective hole-transport material and its hole-transporting ability is slightly inferior to NPB. This overcomes the shortcoming of hole transporting more quickly than electron in OLED and improves carrier balance in the emitting layer. Consequently, the device current efficiency is promoted. In addition, the current efficiency of bilayer-structure OLED with MADN as HTL is comparable to that of conventinol trilayer-structure device with MADN as HTL and Alq3 as electron-transport layer. This indicates that the simplified bilayer-structure device can be achieved without sacrificing current efficiency. The emitting layer of [Alq3∶0.7 Wt%rubrene] possesses superior elecron-transporting ability.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3296 (2015)
  • HAN Yu-ting, XU Jing, QIAO Shu-liang, YANG Bo, LI Li, LIU Cai-hong, YAO Shuang, YAN Jing-hui, and ZOU Ming-qiang

    Using sodium fluoride and rare earth nitrate as raw materials and sodium citrate as surfactant, micron grade NaYF4 upconversion luminescent materials were prepared by hydrothermal method. By X-ray diffraction(XRD), scanning electron microscope(SEM) and fluorescence spectrometer, the crystal phase, morphology and luminescent characteristics of the prepared samples were investigated. The results showed that the phase of the samples could generate a transition from cubic phase to hexagonal phase by adjusting the proportion (5, 6, 7, 8, 9, 11) of NaF/RE3+, and the X ray diffraction peaks for the cubic and hexagonal phase of samples exactly matched with those of the standard card of PDF#77-2042 and PDF#16-0334, respectively. The SEM photographs showed that the crystallinity of samples was high and the dispersibility was favourable, the morphology were translated from microrods to hexagonal microplates. The samples upconversion luminescent spectra showed the intensity enhancement of red and green light emission peaks with increasement of the ratio of NaF/RE3+. The green emission peaks of samples at 520 and 539 nm corresponded to the 2H11/2→4I15/2 and 4S3/2→4I15/2 level transition of Er3+ ion, and the red light emission peaks of samples at 653 nm corresponded to the 4F9/2→4I15/2 level transition of Er3+ ion. The chromaticity coordinate diagram exhibited that the change of the luminescent color of samples could be achieved by adjusting the ratio of NaF/RE3+. With the increasing of NaF/RE3+ ratio, for the whole light-emitting colors of samples, the shift from yellow region to near red region could be realized. It can be concluded that through the relatively simple experimental procedure and lower cost materials, the change of phase and morphology, the moving of light-emitting color for sample NaYF4∶Yb3+, Er3+ could be well controlled only by changing the single component (NaF) molar ratio in the raw materials. The effect of phase and morphology of fluorescent materials on their upconversion luminescence has great potential applications in photonic devices and bioanalysis research.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3300 (2015)
  • LI Xue-chen, ZHANG Chun-yan, LI Ji-yuan, and BAO Wen-ting

    Plasma jet is a kind of important plasma source at atmospheric pressure. In recent years, it becomes an important hot topic in the field of low temperature plasma. In this paper, using a tungsten needle and a tungsten wire mesh, a direct-current excited jet is developed to operate in argon at atmospheric pressure. In the atmospheric pressure argon, the plasma jet can produce a stable plasma plume. By using the method of emission spectroscopy, the parameters of the plasma plume are investigated. The discharge emits dazzling white light from the area between the tungsten needle electrode and the wire mesh electrode. A plasma plume with a flame shape appears outside the tungsten wire mesh electrode. For a constant value of voltage(U=13.5 kV), the length of the plasma plume increases with the gas flow rate. For a constant value of the gas flow rate(10 L·min-1), the length of the plasma plume increases with the voltage. The voltage is inversely proportional to the current under the constant gas flow rate. In other words, the voltage decreases with the discharge current, which indicates that a glow discharge is formed in the plasma jet. Optical emission spectrum in 300 to 800 nm is collected from the direct-current excited plasma jet. By Boltzmann plot method, the excited electron temperature of the plasma plume is investigated as a function of the applied voltage or the gas flow rate. Results show that the excited electron temperature increases with decreasing applied voltage under the constant gas flow. Moreover, it increases with decreasing the gas flow under the constant voltage. Based on the discharge theory, these experimental phenomena are explained qualitatively. These results are of great importance to the development of atmospheric pressure uniform discharge plasma source and its application in industrial field.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3305 (2015)
  • YANG Ke, ZHANG Long, WU Xiao-song, LI Zhi-gang, WANG An, LIU Yong, and JI Min

    Rapid and real-time analysis of cigarette smoke is of great significance to study the puff-by-puff transfer rules in the suction process and to explore the relationship between smoking and health. By combining with the modified commercial smoking machine herein, cigarette smoke online analysis system was established based on the TDLAS technology. The puff-by-puff stability of this system was verified by simulated cigarette composed of a pocket containing CH4 (volume fraction of 0.4), of which the second harmonic peaks are near 1.39. Using this system, the concentration of CH4 in four different kinds of cigarettes was analyzed puff-by-puff by a semiconductor laser, of which center wavelength was at 1 653.72 nm. The results showed that the CH4 concentration of cigarette smoke increased puff-by-puff. CH4 concentration in the flue-cured cigarette is obviously higher than that of blended cigarette by comparing the content of all and puff-by-puff concentration. The puff-by-puff concentration of flue-cured cigarette increased from 400 to 900 ppm, however, the puff-by-puff concentration of blended cigarette increased from 200 to 600 ppm. Simultaneously, there was significant difference between different kinds of the flue-cured. Comparing to traditional analysis methods, this system can effectively avoid the interference of other gases in the smoke cigarette as a result of its strong anti-interference. At the same time, it can finish analysis between suction interval without sample pretreatment. The technology has a good prospect in the on-line puff-by-puff analysis of cigarette smoke.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3310 (2015)
  • ZHANG Zeng-yan, JI Te, XIAO Ti-qiao, ZHAO Hong-wei, CHEN Min, YU Xiao-han, TONG Ya-jun, ZHU Hua-chun, and PENG Wei-wei

    A new method of terahertz (THz) imaging based on the mean absorption is proposed. Terahertz radiation is an electromagnetic radiation in the range between millimeter waves and far infrared. THz pulse imaging emerges as a novel tool in many fields because of its low energy and non-ionizing character, such as material, chemical, biological medicine and food safety. A character of THz imaging technique is it can get large amount of information. How to extract the useful parameter from the large amount of information and reconstruct sample’s image is a key technology in THz imaging. Some efforts have been done for advanced visualization methods to extract the information of interest from the raw data. Both time domain and frequency domain visualization methods can be applied to extract information on the physical properties of samples from THz imaging raw data. The process of extracting useful parameter from raw data of the new method based on the mean absorption was given in this article. This method relates to the sample absorption and thickness, it delivers good signal to noise ratio in the images, and the dispersion effects are cancelled. A paper with a “THz” shape hole was taken as the sample to do the experiment. Traditional THz amplitude imaging methods in time domain and frequency domain are used to achieve the sample’s image, such as relative reduction of pulse maximum imaging method, relative power loss imaging method, and relative power loss at specific frequency imaging method. The sample’s information that reflected by these methods and the characteristics of these methods are discussed. The method base on the mean absorption within a certain frequency is also used to reconstruct sample’s image. The experimental results show that this new method can well reflect the true information of the sample. And it can achieve a clearer image than the other traditional THz amplitude imaging methods. All the experimental results and theoretical analyses indicate that the method base on the mean absorption within a certain frequency can reflects sample absorb and thickness information, it can achieve good signal to noise ratio in the images. Because the absorption is mean absorption within in a certain frequency, so the method proposed in this article is especially suitable for samples with simple structure. And this new method can be a useful added tool for the other traditional THz amplitude imaging methods.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3315 (2015)
  • XING Li-yun, CUI Hong-liang, SHI Chang-cheng, HAN Xiao-hui, ZHANG Zi-yin, LI Wei, MA Yu-ting, ZHENG Yan, and ZHANG Song-nian

    Polymethacrylimide (PMI) foam composite has many excellent properties. Currently, PMI is heat-resistant foam, with the highest strength and stiffness. It is suitable as a high-performance sandwich structure core material. It can replace the honeycomb structure. It is widely used in aerospace, aviation, military, marine, automotive and high-speed trains, etc. But as new sandwich materials, PMI performance testing in the THz band is not yet visible. Based on the Terahertz (THz) time-domain spectroscopy technique, we conducted the transmission and reflection experiments, got the time domain waveforms and power density spectrum. And then we analyzed and compared the signals. The MATALB and Origin 8.0 was used to calculate and obtain the transmittance (transfer function), absorptivity Coefficient, reflectance and the refractive index of the different thickness Degussa PMI (Model: Rohacell WF71), which were based on the application of the time-domain and frequency-domain analysis methods. We used the data to compared with the THz refractive index and absorption spectra of a domestic PMI, Baoding Meiwo Technology Development Co., Ltd. (Model: SP1D80-P-30). The result shows that the impact of humidity on the measurement results is obvious. The refractive index of PMI is about 1.05. The attenuation of power spectrum is due to the signal of the test platform is weak, the sample is thick and the internal scattering of PMI foam microstructure. This conclusion provides a theoretical basis for the THz band applications in the composite PMI. It also made a good groundwork for THz NDT (Non-Destructive Testing, NDT) technology in terms of PMI foam composites.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3319 (2015)
  • MA Shuai, SHEN Tao, WANG Rui-qi, LAI Hua, and YU Zheng-tao

    Feature extraction and classification are the key issues of terahertz spectroscopy identification. Because many materials have no apparent absorption peaks in the terahertz band, it is difficult to extract theirs terahertz spectroscopy feature and identify. To this end, a novel of identify terahertz spectroscopy approach with Deep Belief Network (DBN) was studied in this paper, which combines the advantages of DBN and K-Nearest Neighbors (KNN) classifier. Firstly, cubic spline interpolation and S-G filter were used to normalize the eight kinds of substances (ATP, Acetylcholine_Bromide, Bifenthrin, Buprofezin, Carbazole, Bleomycin, Buckminster and Cylotriphosphazene) terahertz transmission spectra in the range of 0.9~6 THz. Secondly, the DBN model was built by two restricted Boltzmann machine (RBM) and then trained layer by layer using unsupervised approach. Instead of using handmade features, the DBN was employed to learn suitable features automatically with raw input data. Finally, a KNN classifier was applied to identify the terahertz spectrum. Experimental results show that using the feature learned by DBN can identify the terahertz spectrum of different substances with the recognition rate of over 90%, which demonstrates that the proposed method can automatically extract the effective features of terahertz spectrum. Furthermore, this KNN classifier was compared with others (BP neural network, SOM neural network and RBF neural network). Comparisons showed that the recognition rate of KNN classifier is better than the other three classifiers. Using the approach that automatic extract terahertz spectrum features by DBN can greatly reduce the workload of feature extraction. This proposed method shows a promising future in the application of identifying the mass terahertz spectroscopy.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3325 (2015)
  • LIU Chuan-jun, SUN Qing, DENG Yu-qiang, HE Xun-jun, YIN Jing-hua, and LI Jing

    The measurement speed is an important parameter of terahertz time-domain spectroscopy (THz-TDS) instruments. To improve the measurement speed of the spectrometer we need to increase the scanning speed of the delay line. In this paper, we study the influence of the scanning speed, the time constant of lock-in amplifier and the sampling rate on the signal quality. The results show that, when the time constant equal to 10 ms, increasing the scanning speed does not cause significant changes in the amplitude of the signal. But when the time constant equal to 30, 100 and 300 ms, with the increasing of the scanning speed the signal amplitude decreases rapidly. Therefore, the time constant should be set as small as possible to avoid deterioration of signal quality. On the other hand, higher the scanning speed is, fewer data points are collected with a same time-domain length. Therefore, when the scanning speed increase, not only the time constant should be reduced, but also the sampling rate should be increased to avoid the distortion of signal waveform caused by the number reduction of data points. The conclusions can provide a reference for improving the measurement speed of THz-TDS instrument.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3330 (2015)
  • ZHAO Ai-rong, NI Qi-liang, and SONG Ke-fei

    Based-MCP position-sensitive anode photon-counting imaging detector is good at detecting extremely faint light, which includes micro-channel plate (MCP), position-sensitive anode and readout, and the performances of these detectors are mainly decided by the position-sensitive anode. As a charge division anode, Vernier anode using cyclically varying electrode areas which replaces the linearly varying electrodes of wedge-strip anode can get better resolution and greater electrode dynamic range. Simulation and design of the Vernier anode based on Vernier’s decode principle are given here. Firstly, we introduce the decode and design principle of Vernier anode with nine electrodes in vector way, and get the design parameters which are the pitch, amplitude and the coarse wavelength of electrode. Secondly, we analyze the effect of every design parameters to the imaging of the detector. We simulate the electron cloud, the Vernier anode and the detector imaging using Labview software and get the relationship between the pitch and the coarse wavelength of the anode. Simultaneously, we get the corresponding electron cloud for the designing parameters. Based on the result of the simulation and the practical machining demand, a nine electrodes Vernier anode was designed and fabricated which has a pitch of 891 μm, insulation width of 25 μm, amplitude of 50 μm, coarse pixel numbers of 5.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3334 (2015)
  • LI Hao, MA Fang, and SUN Su-qin

    In order to detect the road marking paint from the trace evidence in traffic accident scene, and to differentiate their brands, we use Tri-level infrared spectroscopic identification, which employs the Fourier transform infrared spectroscopy(FTIR), the second derivative infrared spectroscopy(SD-IR), two-dimensional correlation infrared spectroscopy(2D-IR) to identify three different domestic brands of hot melting reflective road marking paints and their raw materials in formula we Selected. The experimental results show that three labels coatings in ATR and FTIR spectrograms are very similar in shape, only have different absorption peak wave numbers, they have wide and strong absorption peaks near 1 435 cm-1, and strong absorption peak near 879, 2 955, 2 919, 2 870 cm-1. After enlarging the partial areas of spectrograms and comparing them with each kind of raw material of formula spectrograms, we can distinguish them. In the region 700~970 and 1 370~1 660 cm-1 the spectrograms mainly reflect the different relative content of heavy calcium carbonate of three brands of the paints, and that of polyethylene wax(PE wax), ethylene vinyl acetate resin (EVA), dioctyl phthalate (DOP) in the region 2 800~2 960 cm-1. The SD-IR not only verify the result of the FTIR analysis, but also further expand the microcosmic differences and reflect the different relative content of quartz sand in the 512~799 cm-1 region. Within the scope of the 1 351 to 1 525 cm-1, 2D-IR have more significant differences in positions and numbers of automatically peaks. Therefore, the Tri-level infrared spectroscopic identification is a fast and effective method to distinguish the hot melting road marking paints with a gradually improvement in apparent resolution.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3339 (2015)
  • MA Peng-fei, CHEN Liang-fu, ZOU Ming-min, ZHANG Ying, TAO Ming-hui, WANG Zi-feng, and SU Lin

    Ozone is a particularly critical trace gas in the Earth’s atmosphere, since this molecule plays a key role in the photo-chemical reactions and climate change. The TIR measurements can capture the variability of ozone and are weakly sensitive to the lowermost tropospheric ozone content but can provide accurate measurements of tropospheric ozone and higher vertical resolution ozone profiles, with the additional advantage that measurements are also possible during the night. Because of the influence of atmospheric temperature, the ozone profile retrieval accuracy is severely limited. This paper analyze and discuss the ozone absorption spectra and weighting function sensitivity of temperature and its influence on ozone profile retrieval in detail. First, we simulate the change of atmospheric transmittance and radiance by importing 1 K temperature uncertainty, using line-by-line radiative transfer mode under 6 different atmosphere modes. The results show that the transmittance change ratio for 1 K temperature variation was consistent with the transmittance change ratio for 5%~6% change of ozone density variation in all layers of the profile. Then, we calculate the change of weighting function by a temperature error of 1 K, using the Community Radiative Transfer Model (CRTM) for the Cross-track Infrared Sounder (CrIS) on the Suomi National Polar-orbiting Partnership (Suomi NPP) satellite and calculate the corresponding change of retrieval result. The results demonstrate that CrIS is sensitive to Ozone in the middle to upper stratosphere, with the peak vertical sensitivity between 10~100 hPa and the change of weighting function for 1 K temperature variation was consistent with 6% change in the ozone profile. Finally, the paper retrieves ozone profiles from the CrIS radiances with a nonlinear Newton iteration method and use the eigenvector regression algorithm to construct the a priori state. In order to resolve the problem of temperature uncertainty and get high accuracy ozone profile, atmospheric temperature profile and ozone profile are simultaneously retrieved. Comparison of the CrIS retrieved ozone profile with high-vertical-resolution ozonesonde profiles provided by the World Ozone and Ultraviolet Radiation Data Centre (WOUDC) and ERA-Interim ozone profiles indicated that the retrieved ozone profiles are in good agreement with the ozonesonde profiles, and a notable improvement in this algorithm than the retrieval without atmospheric temperature profile, are also better than the ECMWF model profiles. The relative differences are less than 20% for the stratosphere and 50% for the lower troposphere.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3344 (2015)
  • LUO Man, HUANG Yuan-yuan, SU Bao-chang, SHI Yun-feng, ZHANG Hong, and YE Xun-da

    The cycle of Hemoglobin oxygenation and deoxidation plays an important role in driving structure and regulating function of red blood cell in vivo, has attracted wide attention. But it has not yet been reported about any studies on the oxygen-carrying function of individual living RBC in vitro with the incubation time. This study involved that using confocal Raman scanning microscopic technique, collecting the Raman spectra of living erythrocyte cultured in vitro at different time, analysing the peaks (1 636, 1 562 cm-1) with characterization of hemoglobin oxygen carrying capacity and the amide Ⅲ band (1 240~1 300 cm-1) with sensitivity to conformation for understanding those changes both of hemoglobin oxygen carrying capacity and protein conformation over time. Meanwhile, its corresponding surface micromorphology was observed via scanning electron microscopy (SEM). The results indicated that the during 24 h hemoglobin with stable structure and normal allosteric collaborative function occurred alternately with the oxygen uptake of increase and decrease and conformation R state and T state, while double concave disk red blood cells observed under SEM also alternately between stretch and shrink. The conclusion not only provides a multi-level characteristic parameter from a single living cell for the study of RBC oxygen-carrying function in vitro, but also the potential research ideas for the screening of the active component, the evaluation of drug efficacy and toxicity for RBC in vitro.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3350 (2015)
  • HUANG Yan-hui, FEI Ben-hua, and ZHAO Rong-jun

    Study on the modified mechanism of wood cell walls, it is very important for improving treatment reagents, optimizing treatment technology, and enhancing wood density, mechanical properties, dimensional stability, and so on. Samples of plantation Chinese fir were treated gradually with synthesized water-soluble low-molecular-weight phenol formaldehyde (PF) resins under vacuum and pressure. The correlated physical and chemical properties of the treated and untreated reference samples were determined by X-ray diffractometer(XRD), Fourier transform infrared spectrometer(FTIR), and nuclear magnetic resonance spectrometer(NMR)(Using method of Cross Polarization/Magic Angle Spinning for continuous testing) with high precision and resolution. The results showed that, after treated with water-soluble low-molecular-weight PF resin, the average values of crystallinity from the treated samples were decreased obviously, and the average reduction rate was 12.67%, 11.91% and 6.26%, respectively. Comparing water-soluble, low-molecular-weight PF resin modified Chinese fir with untreated reference samples, no new chemical shifts and characteristic peaks of functional groups from esters, ethers, etc. were present by using FTIR and 13C NMR spectrum. It was considered that there was no distinct chemical reaction between the water-soluble low-molecular-weight PF resin and Chinese Fir cell walls. But water-soluble low-molecular-weight PF resin could enter into the structure relatively loose, large size spaces, relatively area large amorphous regions in cell walls of Chinese fir tracheids, and form physical filling, which resulting in the decreasing of relative crystallinity. This study has important reference value for the development of new wood modification reagents and the optimization of wood modification process. The findings also provide important theoretical foundation for further proving the modification mechanisms of wood cell walls and enriching the modified theories of wood cell walls.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3356 (2015)
  • SONG Hai-yan, and QIN Gang

    Calibration transfer of near infrared spectroscopy model is a key problem in the field of near infrared spectroscopy research. In this study, calibration transfer of near infrared spectroscopy model for soil organic matter prediction by using Finite Impulse Response (FIR) was analyzed. The specific research work and conclusions were as follows: Firstly, 59 soil samples were collected and detected by using ASD Fieldspec3 in different times. 50 soil samples called “master soil samples” were detected at the same time in 2012, and the other 9 soil samples called “target soil samples” were detected at the same time in 2013. Secondly, 41 soil samples as calibration samples were randomly selected from the “master soil samples”, and soil organic matter prediction model was built by using partial least square (PLS) analysis. The other 9 “master soil samples” were predicted. The result shows that the prediction correlation coefficient is 0.961, Root Mean Standard Error of Prediction(RMSEP) is 0.600%, and Standard Error of Prediction(SEP)is 0.597%. It indicates that it is feasible to predict “master soil samples” by using above PLS model. Then, 9 “target soil samples” were predicted by using above PLS model. The result shows that it is infeasible to predict “target soil samples” by using above PLS model. Finally, FIR was applied to realize calibration transfer. The result shows that, when the window size was 516, higher prediction accuracy was obtained. The prediction correlation coefficient is 0.706, RMSEP is 0.662%, and SEP is 0.430%. It indicates that it is feasible to realize calibration transfer by using FIR.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3360 (2015)
  • LIU Na, WEI Xiu-li, GAO Min-guang, and XU Liang

    A method of fast nondestructive determination of three kinds of water-soluble inorganic ions including SO2-4, NO-3, NH+4 in aerosol was disscussed. The method of IC measurement values was used on the control of the three kinds of inorganic ion content. The quantitative calibration models of the inorganic ions were developed by using ATR-FTIR spectroscopy combined with PLS algorithm and the model was evaluated. Markov distance discriminant method was used to identify and eliminate outliers, different mathematical treatments for spectra processing and different wavelength ranges were compared to determine the best model and the optimal model parameters was determined. The results showed that second derivative analysis after eliminating outliers can improve the prediction, PLS analysis can get better results for SO2-4 in the range of 1 220~900 cm-1, for NO-3 in the range of 1 521~900 cm-1 and for NH+4 in the range of 1 521~1 220 cm-1, the RMSEP were 1.736 7, 1.023 9 and 1.482 3, respectively. The foundation of real-time fast quantitative analysis of the three kinds of inorganic ion in a large number of aerosol samples was established.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3364 (2015)
  • DONG Gao, GUO Jian, WANG Cheng, CHEN Zi-long, ZHENG Ling, and ZHU Da-zhou

    Hyperspectral imaging technology has great potential in the identification of crop varieties because it contains both image information and spectral information for the object. But so far most studies only used the spectral information, the image information has not been effectively utilized. In this study, hyperspectral images of single seed of three types including strong gluten wheat, medium gluten wheat, and weak gluten wheat were collected by near infrared hyperspectra imager, 12 morphological characteristics such as length, width, rectangularity, circularity and eccentricity were extracted, the average spectra of endosperm and embryo were acquired by the mask which was created by image segmentation. Partial least squares discriminant analysis (PLADA) and least squares support vector machine (LSSVM) were used to construct the classification model with image information, results showed that the binary classification accuracy between strong gluten wheat and weak gluten wheat could achieve 98%, for strong gluten wheat and medium gluten wheat, it was only 74.22%, which indicated that hyperspectral images could reflect the differences of varieties, but the accuracy might be poor when recognizing the varieties just by image information. Soft independent modeling of class analogy (SIMCA), PLSDA and LSSVM were used to established the classification model with spectral information, the classification effect of endosperm is slightly better than the embryo, it demonstrated that the grain shape could influence the classification accuracy. Then, we fused the spectral and image information, SIMCA, PLSDA and LSSVM were used to established the identification model, the fusion model showed better performance than the individual image model and spectral model, the classification accuracy which used the PLSDA raise from 96.67% to 98.89%, it showed that digging the morphological and spectral characteristics of the hyperspectral image could effectively improve the classification effect.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3369 (2015)
  • WU Deng-wei, and ZHANG Gan-lin

    To investigate spectral characteristics of different soil compositions, eight soil profiles from two paddy soil chronosequences developed on red clays and red sandstones respectively were collected in Jiangxi Province. A total of 37 soil samples were taken from each soil horizons of the profiles. The paddy soil chronosequences were chosen mainly because all soil profiles have the same land management and thus parent materials and rice cultivation time would be two major soil formative factors. This makes it possible to study spectral response characteristics of soil organic matter (SOM) and parent material characteristics. We measured diffuse reflectance spectra data of soil samples using the Cary 5000 spectrophotometer at 350~2 500 nm spectral range. Spectral response characteristics of SOM and inorganic minerals in paddy soils were analyzed according to different soil horizons, soil forming times and parent materials. Experiment results showed that for soil samples from a single parent material, overall reflectance presented by PC_1 score can be calibrated for soil organic matter (SOM) content with high precision(R2RC=0.91, R2RS=0.79), even though the SOM content was low (not more than 20 g·kg-1). The absorption strength (AS) at 1 400, 1 900 and 2 200 nm was mainly affected by the minerals inherited from parent materials. And the more the sample was near to bottom of a soil profile, the higher the AS value. Samples with the same mineral components had the similar AS ratio among these three wavelength locations. The differences in parent materials can significantly affect spectral curve shape and spectral absorption strength. To make the calibration more interpretative, parent material factors should be considered.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3375 (2015)
  • [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], [in Chinese], and [in Chinese]

    Near-infrared reflectance spectroscopy (NIRS) is an inexpensive, rapid, environment-friendly and non-invasive analytical technique that has been extensively applied in the analysis of the dietary attributes and the animal products. Acquisition of dietary attributes is essential for nutritional diagnoses to provide animals with reasonable diet. Traditionally, the calibration equations for the prediction of dietary attributes (e.g. crude protein) are developed from feed NIR spectra and the results of conventional chemical analysis (i.e. reference data). It is difficult to obtain the NIR spectra of forages consumed by grazing animals, so the method of this calibration is inappropriate for free-grazing herbivores. Feces, as the animal’s metabolites, contain the information about both the animal’s diet and the animal itself. Recently, Fecal-NIRS (F.NIRS) has been directly used to monitor diet information (botanical composition, chemical composition and digestibility), based on correlation between reference data and fecal NIR profile. Subsequently, some additional application (such as sex and species discrimination, reproductive and parasite status) of F.NIRS also is outlined. In the last, application of NIRS in animal manure is summarized. NIRS was shown to be an alternative to conventional wet chemical methods for analyzing some nutrient concentrations in animal manure rapidly. Overall, this paper proves that F.NIRS is a rapid and valid tool for the determination of the dietary attributes and of the physiological status of animal, although more efforts need to be done to improve the accuracy of the F.NIRS technique. Several researchers in English have reviewed the applications of F.NIRS. In China, however, there is a paucity of research and application regarding F.NIRS. We expect that this paper in Chinese will be helpful to the development of F.NIRS in China. At the same time, we propose NIRS as a simple and rapid analytical method for predicting the main chemical composition (dry matter, organ matter, total solid, volatile solid, total nitrogen, total Kjeldahl nitrogen and ammonium nitrogen) in animal manure.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3382 (2015)
  • LI Tian-xin, JIA Shi-qiang, LIU Xu, ZHAO Sheng-yi, RAN Hang, YAN Yan-lu, and AN Dong

    This article explore the feasibility of using Near Infrared Reflectance (NIR) and Transmittance (NIT) Spectroscopy (908.1~1 677.2 nm wavelength range) to identify maize hybrid purity, and compare the performance of NIR and NIT spectroscopy. Principle Component Analysis (PCA) and Orthogonal Linear Discriminant Analysis (OLDA ) were used to reduce the dimension of spectra which have been pretreated by first derivative and vector normalization. The hybrid purity identification model of Nonghua101 and Jingyu16 were built by SVM. Models based on NIR spectra obtained correct identification rate as 100% and 90% for Nonghua101 and Jingyu16 respectively. But NIR spectra were greatly influenced by the placement of seeds, and there existed significant difference between NIR spectra of embryo and non-embryo side. Models based on NIT spectroscopy yielded correct identification rate as 98% both for Nonghua101 and Jingyu16. NIT spectra of embryo and non-embryo side were highly similar. The results indicate that it is feasible to identify maize hybrid purity based on NIR and NIT spectroscopy, and NIT spectroscopy is more suitable to analyze single seed kernel than NIR spectroscopy.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3388 (2015)
  • DING Da-yong, ZHOU Xia, and XU Feng

    The development and utilization of lignocellulosic biomass resource becomes a major subject of widespread concern at home and abroad. To make better use of this resource and reduce cost, a thorough understanding of recalcitrance mechanism as well as chemical compositional and structural characteristics of lignocellulosic cell walls seems desiderated. With the property of fast testing, high sensitivity and simple sample preparation, FT-IR microspectroscopy can provide microanalysis and nondestructive test. It has been proved to accurately present compositional and structural information of lignocellulosic cell walls and be suitable for the study of topochemistry of main components at the cellular level. After a brief introduction of the principle of FT-IR microspectroscopy and its detailed experimental procedure, this review provides an overview on the feasibility of FTIR microspectroscopy in monitoring as well as evaluating the composition and structure of lignocellulosic cell walls from three aspects, including in situ distribution, changes after pretreatment and molecular orientation of the major components in cell walls. Some prospects, for example development of the magnification of the microscope and the spatial resolution of chemical imaging, combination with various analysis methods and instruments are also proposed. This technology can act as a new approach in characterizing lignocellulosic cell walls.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3393 (2015)
  • WANG Shuai, DOU Sen, ZHANG Xi, CUI Yan-jie, and WANG Ting

    Drived by the soil microorganisms, the decomposition and transformation of cellulose plays an important role in the formation of humic substances. The techniques of infrared spectrum combining with element analysis were adopted to compare the structural differences of humic-like substances (HLA, humic-like acid; Hu, humin) extracted from the microbial residues formed in the liquid shake-flask culture (70 days), in which the single fungi (Trichoderma viride, Penicillium and Aspergillus niger) and mixed strains participated. The results showed that: (1) The combination of two techniques could clarify the molecular structure of HLA extracted from the microbial residues, however, it remained to be further discussed in terms of analyzing the structures of Hu; (2) Trichoderma viride was beneficial to the condensation of HLA extracted from its microbial residue, but Penicillium was more favorable to the degradation of HLA. (3) The oxidative degradation of HLA fractions extracted the microbial residues was implemented by Penicillium and mixed strains. Both of the mixed strains and Aspergillus niger were helpful to transfer the inorganic N compounds from the culture media into the organic N components of HLA and Hu extracted from the microbial residues, simultaneously increase their amino C contents and then provide the indispensable N source for the humification process.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3397 (2015)
  • WANG Wei, PAN Zhi-feng, TANG Wei-yue, LI Yun-tao, and FAN Chun-zhen

    Early diagnosis have great positive effect on the treatment of gastric cancer patients. Raman spectroscopy can provide a useful monitor for hemoglobin dynamics. Besides, Raman spectroscopy has notable advantages in the fields of abnormal hemoglobin diagnosis, hemoglobin oxygen saturation deter mination and blood methemoglobin analysis. In this paper, novel silver colloid was synthesized by microwave heated method. The surface enhanced Raman spectrums of hemoglobin from 11 normal persons and 20 gastric cancer patients are measured and analyzed in order to obtain spectrums which are high repeatability and characteristic peaks protruding. By analyzing the assignations of the SERS bands, it found that the content of asparagine, tyrosine and phenylalanine in the hemoglobin are significantly lower than healthy people. Discussing the structure of hemoglobin, when hemoglobin combines with oxygen, Fe2+is in a low spin state, ionic radius shrinks and moves 0.075 nm and fall into the pore in the middle of the heme porphyrin ring plane. This spatial variation affects F8His connected with the iron, will narrow the gap between the globin in the two strands of the helix, as a result, HC2 tyrosine pushed out of the void. Using this mechanism, the absorption peak of 1 560 cm-1 confirmed that the tyrosine content in patients with gastric cancer was lower than that of normal people. Principal component analysis(PCA) is employed to get a three-dimensional scatter plot of PC scores for the health and cancer groups, and it can be learned that they are distributed in separate areas. By using the method of discri minate analysis, it is found that the diagnostic algorithm separates the two groups with sensitivity of 90.0% and diagnostic specificity of 90.9%, the overall diagnostic accuracy was 90.3%.The results from this exploratory study demonstrate that, SERS detection of oxyhemoglobin combined with multivariate analysis would be an effective method for early diagnosis of gastric cancer.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3402 (2015)
  • HAN Qing-yang, and ZHOU Peng-ji

    In the process of detecting ethanol content by Raman spectra, the precision of correction model prediction is affected by noise and baseline drift, which is caused by the spectral fluorescence and sample pool’s background. Use ensemble empirical mode decomposition to decompose spectrum into several intrinsic mode functions, which are without aliasing. The permutation entropy is employed to judge the intrinsic mode functions. Set the intrinsic mode functions which are on behalf of noise and background to zero, and then the signal is without noise and background. In this paper combine ensemble empirical mode decomposition and permutation entropy, and apply to the Raman spectrum, which are used to detect ethanol content. At the same time compare with wavelet transform and average smoothing filter. The experimental result shows that the application of empirical mode decomposition and permutation entropy can effectively eliminate the noise and background. The precision of correction model prediction is improved. This method simply employs and doesn’t need to set parameters, which has great value of application in the process of detecting ethanol content by Raman spectra.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3406 (2015)
  • WANG Fei, WU De-jun, ZHAI Guo-feng, and ZANG Li-peng

    Water and energy metabolism of plants is very important actions in their lives. Although the studies about these actions by using thermography were often reported, seldom were found in detecting the health status of forest trees. In this study, we increase the measurement accuracy and comparability of thermo-images by creating the difference indices. Based on it, we exam the water and energy status in stem of Chinese arborvitae (Platycladus orientalis (L.) Franco) by detecting the variance of far infrared spectrum between sap-wood and heart-wood of the cross-section of felling trees and the cores from an increment borer using thermography. The results indicate that the sap rate between sapwood and heartwood is different as the variance of the vigor of forest trees. Meanwhile, the image temperature of scale leaves from Chinese arborvitae trees with different vigor is also dissimilar. The far infrared spectrum more responds the sap status not the wood percentage in comparing to the area rate between sapwood and heartwood. The image temperature rate can be used in early determining the health status of Chinese arborvitae trees. The wood borers such as Phloeosinus aubei Perris and Semanotus bifasciatus Motschulsky are the pests which usually attack the low health trees, dying trees, wilted trees, felled trees and new cultivated trees. This measuring technique may be an important index to diagnose the health and vigor status after a large number of measurements for Chinese arborvitae trees. Therefore, there is potential to be an important index to check the tree vigor and pest damage status by using this technique. It will be a key in the tending and management of ecological and public Chinese arborvitae forest.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3410 (2015)
  • WU Yong-feng, DONG Yi-wei, HU Xin, LV Guo-hua, REN De-chao, and SONG Ji-qing

    At field scale, surface soil had special characteristics of volumetric moisture content (VMC) with a relatively little difference and spatial heterogeneity induced by physical and chemical properties, roughness, straw residues, etc. It has been a great challenge for near infrared diffuse reflectance spectroscopy (NIR-DRS) measurement of surface soil moisture in situ. In this study, exonential decay models based on seven water-related wavelengths (1 200, 1 400, 1 450, 1 820, 1 940, 2 000 and 2 250 nm), linear models of normalized difference soil moisture index (NSMI) and relative absorption depth (RAD) based on wavelength combinations, linear or quadratic model of width of the inflection (σ), center amplitude of the function (Rd) and area under the Gaussian curve (A) from soil moisture Gaussian model (SMGM), and partial least square (PLS) regression models based on bands were used to quantify VMC. The results indicated that (1) of all the single wavelengths, 2 000 nm showed the best validation result, indicated by the lowest RMSEp (2.463) and the highest RPD value (1.060). (2) Comparing with RAD, the validation of NSMI was satisfactory with higher R2 (0.312), lower RMSEp (2.133) and higher RPD value (1.224). (3) In the validation results of SMGM parameters and PLS fitting, Rd was found to produce the best fitting quality identified by the highest R2 (0.253), the lowest RMSEp (2.222), and the highest RPD value (1.175). (4) Comprehensively, a linear model based on NSMI showed the highest validation accuracy of all the methods. What is more, its calculation process is simple and easy to operate, and therefore become the preferred method to quantify surface soil moisture content in situ.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3416 (2015)
  • NING Jing-ming, YAN Ling, ZHANG Zheng-zhu, WEI Ling-dong, LI Lu-qing, FANG Jun-ting, and HUANG Cai-wang

    Tea is one of the most popular beverages in the world. For the contribution to the taste and healthy functions of tea, amino acids and catechins are important components. Among different kinds of black teas in the world, Keemun black tea has the famous and specific fragrance, “Keemun aroma”. During the processing procedure of Keemun black tea, the contents of amino acids and catechins changed greatly, and the differences of these concentrations during processing varied significantly. However, a rapid and dynamic determination method during the processing procedure was not existed up to now. In order to find out a rapid determination method for the contents of amino acids and catechins during the processing procedure of Keemun black tea, the materials of fresh leaves, withered leaves, twisted leaves, fermented leaves, and crude tea (after drying) were selected to acquire their corresponding near infrared spectroscopy and obtain their contents of amino acids and catechins by chemical analysis method. The original spectra data were preprocessed by the Standard Normal Variate Transformation (SNVT) method. And the model of Near Infrared (NIR) spectroscopy with the contents of amino acids and catechins combined with Synergy Interval Partial Least squares (Si-PLS) was established in this study. The correlation coefficients and the cross validation root mean square error are treated as the efficient indexes for evaluating models. The results showed that the optimal prediction model of amino acids by Si-PLS contained 20 spectral intervals combined with 4 subintervals and 9 principal component factors. The correlation coefficient and the root mean square error of the calibration set were 0.955 8 and 1.768, respectively; the correlation coefficient and the root mean square error of the prediction set were 0.949 5 and 2.16, respectively. And the optimal prediction model of catechins by Si-PLS contained 20 spectral intervals combined with 3 subintervals and 10 principal component factors. The correlation coefficient and the root mean square error of the calibration set were 0.940 1 and 1.22, respectively; the correlation coefficient and the root mean square error of the prediction set were 0.938 5 and 1.17, respectively. The results showed that the established models had good accuracy which could provide a theoretical foundation for the online determination of tea chemical components during processing.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3422 (2015)
  • SONG Guang-lin, LUO Yun-jun, LI Jin-qing, LI Qing, and TAN Hong

    The content control of the impurities in refined TiCl4 becomes the key part for the quality control of titanium material. Refined TiCl4 is the key procedure in producing titanium sponge. Besides, the content of the impurities in titanium sponge and that of the impurities in refined TiCl4 presents the 4-times enrichment relationship. Therefore, control the content of the oxygen, there is the need to analyze the source of oxygen impurities so that strict control can be conducted over the impurities of refined TiCl4. Determination of TiOCl2 in refined TiCl4 was significant for analysis of its impurities. TiOCl2 could be determined by infrared spectroscopy due to its infrared characteristic spectrum line. However, normal infrared absorption cell was not fit for the sample analysis, because TiCl4 easily reacted with moisture in the air and immediately was hydrolyzed to form highly corrosive hydrochloric acid smoke. According to Lambert-Beer Law, which means the concentration (cx) and absorbance(A)~length (L) curve’s slope have direct ratio. The infrared absorption cell with the window film of ZnSe (10×1 mm, wavenumers: 7 800~440 cm-1) and the glass cell (optical path: 22, 12, 7 and 4 mm) was assembled and utilized in determination of the TiOCl2 in refined TiCl4 by standard addition method. The detection limit of TiOCl2 was 17.8 mg·kg-1, the regression equation was Y=1.011 8X, R=0.996 3; With standard addition method, the regression equation of TiOCl2 was Y=1.940 0X, R=0.997 0, it’s good in linearity relation, the TiOCl2 content in refined TiCl4 is determined to be 833.8 mg·kg-1 and SD up to 40.0 mg·kg-1. RSD of the method precision is between 0.95%~1.94%, while recovery rate is between 88.5%~93.1%. This infrared absorption device was safe, simple and convenient, easily removable and washable, and re-useable. The method could conduct the quantitative analysis over the TiOCl2 content in refined TiCl4 through adding standard sample for one time, it could meet the requirement of determination of TiOCl2 in refined TiCl4.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3427 (2015)
  • XIE Chuan-qi, SAHO Yong-ni, GAO Jun-feng, and HE Yong

    Determination of color values on tomato leaves stressed by the high temperature using hyperspectral imaging technique was studied in this paper. Hyperspectral images of sixty healthy and sixty unhealthy tomato leaves in the wavelengths of 380~1 023 nm were acquired by the hyperspectral imaging system. Simultaneously, three color parameters (L*, a* and b*) were measured by a colorimeter. Reflectance of all pixels in the region of interest (ROI) was extracted from the corrected hyperspectral image. Partial Least Squares (PLS) models were established based on different preprocessing methods. Successive Projections Algorithm (SPA) was identified to select effective wavelengths. Finally, Partial Least Squares-Discriminant Analysis (PLS-DA) models were built to classify different types of samples. The results showed that the determination coefficient (R2) were 0.818, 0.109 and 0.896 in the prediction sets of PLS modes; 0.591, 0.244 and 0.673 in the prediction sets of SPA-PLS models. The overall classification accuracy in the prediction sets of PLS-DA models were over 77.50%. It demonstrated that it is feasible to measure color values on tomato leaves and identify different types of samples using hyperspectral imaging technique.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3431 (2015)
  • ZHANG Qian-qian, and TAN Kun

    As an indispensable drink of people’s daily life, milk’s quality has been also increasingly concerned by consumers. Rapid and accurate detection of milk and its products is the indispensable step for improving the quality of milk and daily products in production. However, traditional methods cannot meet the need. In this paper, rapid quantitative detection of true protein in pure milk was studied by using visible/near-infrared (VIS/NIR) reflectance spectroscopy (350~2 500 nm). The spectral data and the protein content data of the pure milk samples were collected by ASD spectrometer and CEM rapid protein analyzer, respectively. Based on the analysis and comparison of different spectrum preprocessing methods and band selection methods, the feature bands were determined. Finally, using the Principle Component Regression (PCR) and Least Squares Support Vector Machine (LS-SVM) model, the regression models between the reflectance spectroscopy and the protein content in milk were presented for pure milk samples and the predictive ability was also analyzed. In this way, the optimal inversion model for true protein content in milk was established. The results were shown as follows: (1) In the process of spectral pretreatment, the combination of multiple scatter correction and second derivative achieved a better result; (2) Compared with the modeling of whole spectral, appropriate variable optimization models had the ability to improve the accuracy of the inversion results and reduce the modeling time; (3) The analysis results between PCR model and LS-SVM model demonstrated that the prediction accuracy of LS-SVM model was better than PCR model. The coefficient of determination (R2P) of PCR and LS-SVM were 0.952 2 and 0.958 0 respectively, and the root mean square error of prediction (RMSEP) of PCR and LS-SVM were 0.048 7 and 0.048 2 respectively. The result of this research is expected to provide a novel method for nondestructive and rapid detection of true protein in milk.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3436 (2015)
  • Wang Shifeng, Wu Jing, Cheng Cheng, Yang Lin, Zhao Yufei, Lü Qing, and Fu Xinmei

    Aqueous fingerprint has an advantage to represent the organic components of water samples as compared to traditional parameters such as chemical oxygen demand (COD) and total organic carbon (TOC). Printing and dyeing wastewater is one of the major types of industrial wastewater in China. It is of huge volume and heavy pollution, containing large numbers of luminescent components and being difficult to be degraded. In this study the aqueous fingerprint of printing and dyeing wastewater was investigated with the fluorescent spectrometry. The experimental results showed that there existed two peaks in the aqueous fingerprint of the printing and dyeing wastewater, locating at the excitation/emission wavelength around 230/340 nm and 280/310 nm respectively. The intensity of the excitation/emission wavelength at 230/340 nm was higher than that of 280/310 nm. The locations and intensities of peaks varied within small range. The intensities of the two peaks linearly correlated with coefficient of 0.910 8 and slope of 1.506. The intensity ratio of Peak at 280/310 nm to Peak at 230/340 nm averagely was 0.777, ranging between 0.712 and 0.829. It was found that the aqueous fingerprints of sewage and aniline compounds were significantly different from that of the printing and dyeing wastewater, but the aqueous fingerprints of several types of widely-used dye were similar to that of the printing and dyeing wastewater. Thus dye may be the main luminescent components in the wastewater. The aqueous fingerprint can be used as a novel tool of early warning of waterbodies.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3440 (2015)
  • CHEN Yu-hui, XI Hong-bo, YU Dong, ZHOU Yue-xi, CHEN Xue-min, and FU Xiao-yong

    Herbicide wastewater is one of tne industrial wastewater, it has high salt content, poor biodegradability, biodegradable characteristics. Nitrogen-containing organic compounds are dominated in dissolved organic matter and dissolved organic matter of wastewater, BOD∶COD=0.045, C∶N∶P=692∶426∶1. Applying static headspace, purg and trap, solid-phase extraction, solid-phase microextraction and liquid-liquid extraction as pretreatment methods combined with gas chromatography/mass spectrometry (GC/MS), which qualitatively analyzed the organic components of the Atrazine, acetochlor herbicide production wastewater and researched the UV spectrum, three-dimensional fluorescence spectroscopy of the wastewater and its major pollutants. The study of GC/MS indicated that Wastewater contained chlorinated hydrocarbons, BTEX and triazines, amides herbicides etc. 38 kinds of volatile and semi-volatile organic compounds, atrazine and acetochlor herbicides accounted for 87.99%. Affected monocyclic or heterocyclic substances, the ultraviolet absorption spectrum of the wastewater in 210~230 and 250~270 nm in that the amino group lead to the UV absorption red shift 20 nm. Wastewater generated 5 fluorescence peak in λex/λem=200~280/300~400 nm, such as a(225/305 nm), b(265/365 nm), c(275/305 nm), d(285/390 nm), e(320/375 nm). Based on three-dimensional fluorescence results of the different functional groups of the characteristics organic, fluorescent area of unsaturated bond is in λex/λem=215~230/290~340 nm, the main contribution of the fluorescent substance in the region were olefins, benzene, heterocyclic in the wastewater; fluorescent area of Phenolic hydroxyl and carbonyl is in λex/λem=270/300 nm, the main contribution of the fluorescent substance in the region were phenols, ketones.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3444 (2015)
  • ZHU Chun, XIE Xin, DU Jia-meng, ZHAO Jin-chen, and CHEN Guo-qing

    Three-dimensional synchronous fluorescence spectrum of prepared rehmannia root from different regions were measured and feature parameters were extracted. It can be found that the effective fluorescent compositions of prepared rehmannia root from different regions are similar. The relationships between the spectrum-effect were established. This study can provide reference for clinicaldosage. First order derivative and second order derivative of prepared rehmanniaroot from different regions can be got by programming respectively. Magnifing synchronous emission spectrum of the shoulder strap, the subtle differences of the spectrum can be distinguished and the method, derivative synchronous fluorescence spectrum, to identify different regions of prepared rehmannia root are acquired.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3450 (2015)
  • JIANG Bo, HU Wen-zhong, LIU Chang-jian, ZHENG Wei, QI Xiao-hui, JIANG Ai-li, and WANG Yan-ying

    Vapours of organic matters were determined qualitatively employed with ultraviolet-visible absorption spectroscopy. Vapours of organic matters were detected using ultraviolet-visible spectrophotometer employing polyethylene film as medium, the ultraviolet and visible absorption spectra of vegetable oil vapours of soybean oil, sunflower seed oil, peanut oil, rapeseed oil, sesame oil, cotton seed oil, tung tree seed oil, and organic compound vapours of acetone, ethyl acetate, 95% ethanol, glacial acetic acid were obtained. Experimental results showed that spectra of the vegetable oil vapour and the organic compound vapour could be obtained commendably, since ultra violet and visible spectrum of polyethylene film could be deducted by spectrograph zero setting. Different kinds of vegetable oils could been distinguished commendably in the spectra since the λmax, λmin, number of absorption peak, position, inflection point in the ultra violet and visible spectra obtained from the vapours of the vegetable oils were all inconsistent, and the vapours of organic compounds were also determined perfectly. The method had a good reproducibility, the ultraviolet and visible absorption spectra of the vapours of sunflower seed oil in 10 times determination were absolutely the same. The experimental result indicated that polyethylene film as a kind of medium could be used for qualitative analysis of ultraviolet and visible absorption spectroscopy. The method for determination of the vapours of the vegetable oils and organic compounds had the peculiarities of fast speed analysis, well reproducibility, accuracy and reliability and low cost, and so on. Ultraviolet and visible absorption spectrum of organic vapour could provide feature information of material vapour and structural information of organic compound, and provide a novel test method for identifying vapour of compound and organic matter.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3454 (2015)
  • JIANG Long, MENG Chong, and LI Yu

    In this paper, the molecular vibrational spectra (IR spectra and Raman spectra) of 4, 4’-dibrominated diphenyl ethers (BDE-15) in atmosphere and 24 kinds of solvents were calculated, at the B3LYP/6-31+G(d) level by density functional theory and self-consistent reaction field separately. Taking the spectra in atmosphere as benchmark, the spectra information of selected characteristic vibrations which were sensitive to the polarity of solvent were used to establish the solvent effect index system for BDE-15, evaluate the specific solvent effect on vibrational frequency, IR vibrational intensity, Raman vibrational intensity and comprehensive solvent effect of each solvent and search the organic solvent which significantly affected the frequency shift/intensity. From the view of molecular vibrational frequency, the characteristic vibrations sensitive to polarity of solvent (frequency shift>1 cm-1) are all correlated with stretching and out-surface bending vibrations, the solvent effect on the vibrational frequency of BDE-15 of 24 kinds of solvents are all insignificant, with the index values between 1.01~1.03, compared with standard index value 1 of atmosphere spectra. From the view of molecular vibrational intensity, 24 kinds of solvents have all strengthen the vibrational intensities of most of vibrations, locating at the high frequency region of Raman spectra and the middle/low frequency region of IR spectra. The solvents which enhance the vibrational intensities significantly (index value greater than 6 and 5 for IR and Raman intensity separately) include alcohols, acetonitrile, dimethyl sulfoxide, nitrobenzene, dimethyl sulfoxide. The solvent effect index values on Raman vibrational intensity of BDE-15 increase along with the dielectric constant of solvents from linear to logarithmic growth trend, while the solvent effect index values on IR vibrational intensity only leaving the linear relationship. The comprehensive solvent effect index values have presented the similar change trend with Raman vibrational intensities. The spectra information of BDE-153, BDE-154, BDE-209 were used to authenticate the application on PBDEs of the analysis method above for BDE-15, obtaining the solvent effect index values on vibrational intensities on BDE-153, BDE-154, BDE-209 of alcohols, acetonitrile, dimethyl sulfoxide, nitrobenzene are all greater than 6 or 5, which indicate the enhancing vibrational intensities method can be used to identification research on PBDEs based on molecule vibrational spectra further.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3459 (2015)
  • SONG Mei-ping, XU Xing-wei, Chein-I Chang, AN Ju-bai, and Yao Li

    Spectrum unmixing is an important part of hyperspectral technologies, which is essential for material quantity analysis in hyperspectral imagery. Most linear unmixing algorithms require computations of matrix multiplication and matrix inversion or matrix determination. These are difficult for programming, especially hard for realization on hardware. At the same time, the computation costs of the algorithms increase significantly as the number of endmembers grows. Here, based on the traditional algorithm Orthogonal Subspace Projection, a new method called Orthogonal Vector Projection is prompted using orthogonal principle. It simplifies this process by avoiding matrix multiplication and inversion. It firstly computes the final orthogonal vector via Gram-Schmidt process for each endmember spectrum. And then, these orthogonal vectors are used as projection vector for the pixel signature. The unconstrained abundance can be obtained directly by projecting the signature to the projection vectors, and computing the ratio of projected vector length and orthogonal vector length. Compared to the Orthogonal Subspace Projection and Least Squares Error algorithms, this method does not need matrix inversion, which is much computation costing and hard to implement on hardware. It just completes the orthogonalization process by repeated vector operations, easy for application on both parallel computation and hardware. The reasonability of the algorithm is proved by its relationship with Orthogonal Subspace Projection and Least Squares Error algorithms. And its computational complexity is also compared with the other two algorithms’, which is the lowest one. At last, the experimental results on synthetic image and real image are also provided, giving another evidence for effectiveness of the method.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3465 (2015)
  • YANG Sheng-yuan, XU Xiao-na, YU Jun-hui, YANG Hui-xian, and HU Cheng-lan

    A new label-free resonance light scattering method for the highly selective and sensitive detection of mercury ion was designed. This strategy makes use of the target-induced DNA conformational change to enhance the resonance light scattering intensity leading to an amplified optical signal. The Hg2+ ion, which possesses a unique property to bind specifically to two DNA thymine (T) bases, in the presence of Hg2+, the specific oligonucleotide probes form a conformational reorganization of the oligonucleotide probes from single-chain structure to duplex-like complexes, which can greatly enhance the resonance light scattering intensity. Under the optimum experimental conditions, the enhanced resonance light scattering intensity at 566 nm was in proportion of mercury ion concentration in the range 7.2×10-9~9×10-8mol·L-1 with the linear regression equation was ΔI=5.12c+3.55(r=0.999 5). This method was successfully applied to detection of Hg2+ in enviro nmental water samples, the RSD were less than 1.9% and recoveries were 99.4%~104.3%. This label-free strategy uses the mercury specific oligonucleotide probes as recognition elements and control the strength of resonance light scattering by changing the concentration of Hg2+. It translating the small molecule detection into the DNA hybridization behavior leading to an amplified resonance light scattering signal can well enhance the sensitive detection of Hg2+. With amplification by DNA hybridization behavior, the sensitivity for the detection of Hg2+ can achieve 2.16×10-9mol·L-1. In this study, the stacked T-Hg2+-Tfunctioned not only as amplification property but also as an selective recognition. The highly specific detection of Hg2+ is attributed to the formation of a stable T-Hg2+-T complex.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3471 (2015)
  • LIANG Shu-ying, and YANG Chun-yu

    The territory of China is vast, so the daylight climates of different regions are not the same. In order to expand the utilization scope and improve the utilization efficiency of solar energy and daylight resources, this article observed and analyzed the ground daylight spectra of China’s different light climate partitions. Using a portable spectrum scanner, this article did a tracking observation of ground direct daylight spectra in the period of 380~780 nm visible spectrum of different solar elevation angles during one day in seven representative cities of china’s different light climate partitions. The seven representative cities included Ku nming, Xining, Beijing, Shenzhen, Nanjing, Nanchang and Chongqing. According to the observation results, this article analyzed the daylight spectrum changing law, compared the daylight spectrum curves of different light climate partitions cities, and summarized the influence factors of daylight spectral radiation intensity. The Analysis of the ground direct daylight spectra showed that the daylight spectral radiation intensity of different solar elevation angles during one day of china’s different light climate partitions cities was different, but the distribution and trend of daylight power spectra were basically the same which generally was first increased and then decreased. The maximum peak of spectral power distribution curve appeared at about 475 nm, and there were a steep rise between 380~475 nm and a smooth decline between 475~700 nm while repeatedly big ups and downs appearing after 700 nm. The distribution and trend of daylight power spectra of china’s different light climate partitions cities were basically the same, and there was no obvious difference between the daylight spectral power distribution curves and the different light climate partitions. The daylight spectral radiation intensity was closely related to the solar elevation angle and solar surface condition.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3475 (2015)
  • LIU Ya-dong, and CUI Ri-xian

    Digital image analysis has been widely used in non-destructive monitoring of crop growth and nitrogen nutrition status due to its simplicity and efficiency. It is necessary to segment winter wheat plant from soil background for accessing canopy cover, intensity level of visible spectrum (R, G, and B) and other color indices derived from RGB. In present study, according to the variation in R, G, and B components of sRGB color space and L*, a*, and b* components of CIEL*a*b* color space between wheat plant and soil background, the segmentation of wheat plant from soil background were conducted by the Otsu’s method based on a* component of CIEL*a*b* color space, and RGB based random forest method, and CIEL*a*b* based random forest method, respectively. Also the ability to segment wheat plant from soil background was evaluated with the value of segmentation accuracy. The results showed that all three methods had revealed good ability to segment wheat plant from soil background. The Otsu’s method had lowest segmentation accuracy in comparison with the other two methods. There were only little difference in segmentation error between the two random forest methods. In conclusion, the random forest method had revealed its capacity to segment wheat plant from soil background with only the visual spectral information of canopy image without any color components combinations or any color space transformation.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3480 (2015)
  • JIANG Hao, BAI Xiao-fei, YAN Jing-hui, and ZOU Ming-qiang

    LaCeF3∶Tb microcrystalline was synthesized by microemulsion method, oleic acid-assisted solvothermal method, ultrasonic-assisted solvothermal method separately. LaCeF3∶Tb microcrystalline synthesized by ultrasonic-assisted solvothermal method is rarely reported. Using X-ray diffraction (XRD), scanning electron microscope (SEM), fluorescence spectroscopy (PL) method such as the crystal phase, morphology and luminescence properties of the samples have been characterized. XRD results show that the crystallization product is good, microcrystalline and standard card PDF# 38-0452 (the six-party LaCeF3) is corresponding, SEM images showing the product has uniform size and morphology, under 250 nm excitation nanoparticles shows strong green light, the main emission peaks respectively belonged to 5D4→7F6(489 nm), 5D4→7F5(545 nm), 5D4→7F4(585 nm)and 5D4→7F3(621 nm) transition of Tb3+. Through LaCeF3 and LaCeF3∶Tb spectral studies prove the existence of the Ce-Tb energy transfer. Calculated the critical doping concentration of Tb in LaCeF3 microcrystalline synthesized by different methods.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3485 (2015)
  • LIU Hui-jun, TAO Shao-hua, YANG Bing-chu, and DENG Hong-gui

    The absorptance spectrum of a gas is the basis for the qualitative and quantitative analysis of the gas by the law of the Lambert-Beer. The integral value of the absorptance spectrum is an important parameter to describe the characteristics of the gas absorption. Based on the measured absorptance spectrum of a gas, we collected the required data from the database of HITRAN, and chose one of the spectral lines and calculated the integral value of the absorptance spectrum in the frequency domain, and then substituted the integral value into Lambert-Beer’s law to obtain the concentration of the detected gas. By calculating the integral value of the absorptance spectrum we can avoid the more complicated calculation of the spectral line function and a series of standard gases for calibration, so the gas concentration measurement will be simpler and faster. We studied the changing trends of the integral values of the absorptance spectrums versus temperature. Since temperature variation would cause the corresponding variation in pressure, we studied the changing trends of the integral values of the absorptance spectrums versus both the pressure not changed with temperature and changed with the temperature variation. Based on the two cases, we found that the integral values of the absorptance spectrums both would firstly increase, then decrease, and finally stabilize with temperature increasing, but the ranges of specific changing trend were different in the two cases. In the experiments, we found that the relative errors of the integrated values of the absorptance spectrum were much higher than 1% and still increased with temperature when we only considered the change of temperature and completely ignored the pressure affected by the temperature variation, and the relative errors of the integrated values of the absorptance spectrum were almost constant at about only 1% when we considered that the pressure were affected by the temperature variation. As the integral value of the absorptance spectrum varied with temperature and the calculating error for the integral value fluctuates with ranges of temperature, in the gas measurement when we used integral values of the absorptance spectrum, we should select a suitable temperature range, that is, a more stable absorption range to reduce error caused by the temperature variation and obtain a more accurate measurement result.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3490 (2015)
  • WANG Chao, FENG Mei-chen, YANG Wu-de, XIAO Lu-jie, LI Guang-xin, ZHAO Jia-jia, and REN Peng

    Soil organic matter (SOM) is one of the most important indexes to reflect the soil fertility, and soil moisture is a main factor to limit the application of hyperspectral technology in monitoring soil attributes. To study the effect of soil moisture on the accuracy for monitoring SOM with hyperspectral remote sensing and monitor the SOM quickly and accurately, SOM, soil water content (SWC) and soil spectrum for 151 natural soil samples in winter wheat field were measured and the soil samples were classified with the method of traditional classification of SWC and Normalized Difference Soil Moisture Index (NSMI) based on the hyperspectral technology. Moreover, the relationship among SWC, SOM and NSMI were analyzed. The results showed that the accuracy of spectral monitor for SOM among the classifications were significantly different, its accuracy was higher than the soils (5%~25%) which was not classified. It indicated that the soil moisture affected the accuracy for monitoring the SOM with hyperspectral technology and the study proved that the most beneficent soil water content for monitoring the SOM was less 10% and higher 20%. On the other hand, the four models for monitoring the SOM by the hyperspectral were constructed by the classification of NSMI, and its accuracy was higher than the classification of SWC. The models for monitoring the SOM by the classification of NSMI were calibrated with the validation parameters of R2, RMSE and RPD, and it showed that the four models were available and reliable to quickly and conveniently monitor the SOM by heperspectral. However, the different classifiable ways for soil samples mentioned in the study were naturally similar as all soil samples were classified again with another way. Namely, there may be another optimal classifiable way or method to overcome and eliminate the SWC effect on the accuracy for monitoring SOM. The study will provide some theoretical technology to monitor the SWC and SOM by remote sensing.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3495 (2015)
  • HU Hui-qin, XU Xue-hong, LIU Mu-hua, TU Jian-ping, HUANG Le, HUANG Lin, YAO Ming-yin, CHEN Tian-bing, and YANG Ping

    In this work, the content of copper in the shell of preserved eggs were determined directly by Laser induced breakdown spectroscopy (LIBS), and the characteristics lines of Cu was obtained. The samples of eggshell were pretreated by acid wet digestion, and the real content of Cu was obtained by atomic absorption spectrophotometer (AAS).Due to the test precision and accuracy of LIBS was influenced by a serious of factors, for example, the complex matrix effect of sample, the enviro nment noise, the system noise of the instrument, the stability of laser energy and so on. And the conventional uni-variate linear calibration curve between LIBS intensity and content of element of sample, such as by use of Schiebe G-Lomakin equation, can not meet the requirement of quantitative analysis. In account of that, a kind of multivariate calibration method is needed. In this work, the data of LIBS spectra were processed by partial least squares (PLS), the precision and accuracy of PLS model were compared by different smoothing treatment and five pretreatment methods.The result showed that the correlation coefficient and the accuracy of the PLS model were improved, and the root mean square error and the average relative error were reduced effectively by 11 point smoothing with Multiplicative scatter correction (MSC) pretreatment. The results of the study show that, heavy metal Cu in preserved egg shells can be direct detected accurately by laser induced breakdown spectroscopy, and the next step batch tests will been conducted to find out the relationship of heavy metal Cu content in the preserved egg between the eggshell, egg white and egg yolk. And the goal of the contents of heavy metals in the egg white, egg yolk can be knew through determinate the eggshell by the LIBS can be achieved, to provide new method for rapid non-destructive testing technology for quality and safety of agricultural products.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3500 (2015)
  • ZHAO Ying, JIANG Chun-ming, MA Qiang, ZHOU Hua, XU Yong-gang, and YU Wan-tai

    Based on a long-term experiment in Shenyang Experimental Station, the effect of manure application on the contents and budgets of Cu, Zn and Cd in the arable soil was studied. The experiment included four treatments: no mature addition (CK), mature addition 10 t·ha-1 year-1 (M1), 25 t·ha-1 year-1 (M2), and 50 t·ha-1 year-1 (M3). The result showed that Cu, Zn and Cd in soil were accumulated with manure application and prolongation of experiment, and the accumulative magnitude increased with increasing of manure application. The average annual growth rates of the heavy metals in the four treatments (CK, M1, M2, M3) were 2.83%, 6.56%, 7.54%, 8.96%; 0.03%, 3.44%, 4.53%, 6.64% and 1.51%, 8.01%, 10.27%, 16.08% for Cu, Zn and Cd, respectively. After six years of the experiment, the content of Cd in the M3 treatment was quite close to the threshold of Chinese Soil Quality Standard Grade III (1 mg·kg-1, GB15618—1995). After 12 years of the experiment, the contents of Cu in the mature-amended treatments fell in the Chinese Soil Quality Standard Grade III, which should be paid more attention. Although the heavy metals in soil were gradually accumulated, the Cu, Zn and Cd levels in crop grain were still below the National Food Contamination Standards (GB2762—2005; GB13106—91; GB15199—94), indicating the contents of heavy metals in crop produced from contaminated soil might not exceed the corresponding standards. The contents of Cu, Zn and Cd in the straw were much greater than those in the grain. The removal of heavy metal by crop was in the order of M3>M2>M1> CK. The average amounts of Cu, Zn and Cd annually removed from the soil in the four treatments (CK, M1, M2 and M3) were 35.68, 47.80, 63.65, 69.64; 249.14, 375.22, 375.16, 444.44, and 0.83, 1.39, 1.64, 1.66 g·ha-1, respectively. The contents of heavy metals in organic manure varied in different years: the contents of Cu and Zn increased year by year, while Cd presented a decreasing trend. The average amounts of Cu, Zn and Cd annually remained in the soil in the treatments M1, M2 and M3 were 2 283.0, 5 763.7, 11 585.4; 2 483.3, 6 771.4, 13 849.2 and 4.8, 13.9, 29.5 g·ha-1, respectively. Since the heavy metals in organic manure markedly fluctuated in different years, the average residuals can only reflect the changing trend. Therefore, the residuals of heavy metals in the soil could be accurately predicted only according to status of manure in a given year.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3505 (2015)
  • QI Hai-jun, WANG Jian-ying, ZHANG Xue-feng, and WANG Yang

    When Energy-Dispersive X-RayFluorescence(EDXRF)used for measuring cerium (Ce) content in the Bayan Obo ores, matrix effect mainly comes from iron (Fe) and calcium (Ca). Due to extensive concentration variability of the two elements, commonly employed standard sample method for matrix effect correction is invalid. To overcome the problem, testing samples were prepared based on the average contents of elements in the Bayan Obo ores, and the influence of Fe and Ca on the coefficient in a linear relationship between Ce content and XRF signal was determined by linear least squares fitting for multivariate analysis. The coefficients thus determined reflected the matrix effect on Ce emitted fluorescence from Fe emitted fluorescence and Ca absorption. When the coefficients were used in analyzing Ce content in Bayan Obo mine by EDXRF, the relative error is less than 10%.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3510 (2015)
  • QIU Li-mei, and XU Guang-tong

    XPS analysis provides qualitative, quantitative and chemical state information for surface elements of solid materials. Therefore, XPS is widely applied in the characterization of refining catalyst. In the present paper, the applications of XPS in the field of typical refining catalysts, including hydrogenation catalyst, S Zorb sorbent and rare-earth modified Y zeolite, are illustrated and exemplified. For sulfided Co(Ni)-Mo(W)/Al2O3(-SiO2) hydrodesulfurization catalysts, the anhydrous oxygen-free transfer process from the reactor to XPS chamber was illustrated. The identification and peak fitting of S(2p), Mo(3d), W(4f), Co(2p) and Ni(2p) XPS spectra were summarized. The typical chemical states of the active elements were described. Based on these results, the sulfidation extents of the active metals and the cause for the sulfidation inadequency of the catalysts were deduced. As for the application of XPS in S Zorb sorbent, the existence form of zinc was obtained from ZnLMM Auger spectra, and the fracture mechanism and deactivation reason of the sorbent were derived. The distribution of sulfur along the vertical direction was investigated using XPS and argon ion sputtering XPS. Besides, in situ XPS was applied to study the conversion of sulfur- and nickel-containing species for spent sorbent under hydrogen condition. Finally, for cerium modified Y zeolite, the location of cerium ion inside and outside Y zeolite cage was investigated. The results indicate that the liquid phase method is more suitable for the migration of cerium ion toward zeolite as compared with the solid phase method.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3514 (2015)
  • ZHAO De-da, LIU Xing-e, YANG Shu-min, YU Shen, TIAN Gen-lin, MA Jian-feng, and WANG Qing-ping

    The wood property and production process affect quality of Guqin. At the same time, Guqin shape with cavity layout relations to the improvement of Guqin technology and inheritance, so it’s very important to get the internal cavity characteristics and parameters on the condition of non-destructive the structure of Guqin.The image of interior structure in Guqin was investigated by overall scanning based on non-destructive testing technology of computed tomography, which texture of faceplate, connection method betweenfaceplate and soleplate and interior defects were studied. The three-dimensional reconstruction of Guqin cavity was achieved through Mimics software of surface rendering method and put the two-dimensional CT tomography images convert into three-dimensional, which more complete show interior structural form in Guqin, and finally the parameter of cavity dimensions was obtained.Experimental research shows that there is significant difference in Guqin interior structure between Zhong-ni and Luo-xia type, in whichthe fluctuationof the interior surfacein Zhong-ni type’sis larger than that in Luo-xia type; the interior volume of Zhong-ni typeis less than that of Luo-xia type, especially in Guqin neck.The accurate internal information of Guqin obtained through the computed tomography (CT) technology will provide technical support for the Guqin manufacture craft and the quality examination, as well as provide the reference in the aspect of non-destructive testing for other traditional precious internal structure research.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3519 (2015)
  • LIU Jie, PAN Jing-chang, LUO A-li, WEI Peng, and LIU Meng

    Distance metric is an important issue for the spectroscopic survey data processing, which defines a calculation method of the distance between two different spectra. Based on this, the classification, clustering, parameter measurement and outlier data mining of spectral data can be carried out. Therefore, the distance measurement method has some effect on the performance of the classification, clustering, parameter measurement and outlier data mining. With the development of large-scale stellar spectral sky surveys, how to define more efficient distance metric on stellar spectra has become a very important issue in the spectral data processing. Based on this problem and fully considering of the characteristics and data features of the stellar spectra, a new distance measurement method of stellar spectra named Residual Distribution Distance is proposed. While using this method to measure the distance, the two spectra are firstly scaled and then the standard deviation of the residual is used the distance. Different from the traditional distance metric calculation methods of stellar spectra, when used to calculate the distance between stellar spectra, this method normalize the two spectra to the same scale, and then calculate the residual corresponding to the same wavelength, and the standard error of the residual spectrum is used as the distance measure. The distance measurement method can be used for stellar classification, clustering and stellar atmospheric physical parameters measurement and so on. This paper takes stellar subcategory classification as an example to test the distance measure method. The results show that the distance defined by the proposed method is more effective to describe the gap between different types of spectra in the classification than other methods, which can be well applied in other related applications. At the same time, this paper also studies the effect of the signal to noise ratio (SNR) on the performance of the proposed method. The result show that the distance is affected by the SNR. The smaller the signal-to-noise ratio is, the greater impact is on the distance; While SNR is larger than 10, the signal-to-noise ratio has little effect on the performance for the classification.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3524 (2015)
  • WANG Chen-guang, YANG Jiang-tao, KANG Ning, GUO Hao, TANG Jun, LIU Jun, and XUE Chen-yang

    Because traditional method for tunable grating fabrication has harsh process condition, complex fabrication process,high costs and long cycle. Proposed a low-cost, simple process, can be prepared in large quantities gradient grating process method, based on self-assembly process using the rigid film/flexible substrate and oxygen plasma method prepared a micron scale gradient grating. Use of plasma free time controllability and excellent elastic of PDMS obtained the desired grating. First, polyethylene terephthalate (PET) was spin-coated layer of polydimethylsiloxane (PDMS) film on the thin film, two-layer film to be cured PDMS film after bending and treated with an oxygen plasma (plasma), in generating a rigid surface oxide layer,With flexible PET rigid layer applied uniform stress, when the stress exceeds the critical value, the PDMS substrate to form a self-assembled structure grating fold. Due to changes in prestressed bending, so the PDMS film formation period and height of the grating stepped fold, which is graded grating. Using visible light as the performance test light source for graded grating and selecting first-order diffracted as the detection target. The authors can see the grating has a good diffraction effects and achieves good spectral effect. Experiments show that graded grating has obvious diffraction grating, and the diffraction angle varies significantly, and can be widely used for stress measurement, the flexible gradient grating prepared by this method can also be used to detect changes in the stress strain as a miniature device, the future is expected for miniature spectrometer, scanners, optical communications and other fields.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3529 (2015)
  • LIN Jun, SHAO Jun, SONG Chao-yu, LI Yun-wei, and LEI Yu-fei

    The Fourier interferometric spectrometer (FIS) acquires the interference data information of the spectrum and during the spectrum data processing, a series of spectrum reconstruction will be performed on the interference information to obtain the final spectrum information data. The spectral calibration is the key step to spectrum reconstruction of FIS, which directly determines accuracy and availability of the spectrum results. This paper introduces the basic ideas and calibration accuracy about the spectral calibration for the FIS and puts forward a new spectral calibration method based on calculating the precise value of the total optical path difference (TOPD). The TOPD of FIS is difficult to be precisely measured, but it is the core and key to the spectral calibration. In order to calculate the precise TOPD, this paper proposes the idea how to traverse the TOPD and analyzes the spectrum drift. During the calibration, all the possible values of the TOPD participate in the spectrum reconstruction flow to carry out spectrum recovery and analysis. Ultimately the TOPD with the minimum spectrum drift will be achieved, namely solution value of the TOPD. This method can accurately resolve the TOPD of the FIS and then calibrate the spectrum with high accuracy. In addition, the paper introduces the detailed and complete spectral calibration flow and obtains the center wavelength value of every band and wavenumber resolution. Moreover, the paper designs the main parameters of the typical FIS and generates its simulation interference data. Using the above method to calibrate the simulation data, the analysis and verification of the spectral calibration results proves that the calibration precision of wavenumber resolution achieves 0.000 25 cm-1 or above.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3534 (2015)
  • Nesrine T. Lamie

    Three simple, specific, accurate and precise spectrophotometric methods are developed for simultaneous determination of amlodipine besylate (AM) and atenolol (AT) in tablets. The first method is dual wavelength spectrophotometry (DW). The second method is ratio subtraction (RS) which depends on subtraction of the plateau values from the ratio spectrum, coupled to first derivative of ratio spectra (1DD). The third method applies bivariate calibration method using 210 and 225 nm as an optimum pair of wavelength for amlodipine and atenolol. The calibration curves are linear over the concentration range of 4~40 μg·mL-1 for both drugs. The specificity of the developed methods is investigated by analyzing laboratory prepared mixtures of the two drugs and their combined dosage form. The two methods are validated as per ICH guidelines and can be applied for routine quality control testing.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3538 (2015)
  • E. Cengiz, N. Saritas, M. Dogan, O.K. Koksal, K. Karabulut, G. Apaydin, and E. Tirasoglu

    The LⅢ subshell absorption jump ratio and jump factor of hafnium have been measured using two different ways which are X-ray attenuation method and Energy Dispersive X-ray Fluorescence technique. The results obtained both ways have been compared with theoretical values. They are in good agreement with each other.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3544 (2015)
  • WANG Shu-tao, CHEN Dong-ying, WANG Xing-long, WEI Meng, and WANG Zhi-fang

    In this paper, fluorescence spectra properties of potassium sorbate in aqueous solution and orange juice are studied, and the result shows that in two solution there are many difference in fluorescence spectra of potassium sorbate, but the fluorescence characteristic peak exists in λex/λem=375/490 nm. It can be seen from the two dimensional fluorescence spectra that the relationship between the fluorescence intensity and the concentration of potassium sorbate is very complex, so there is no linear relationship between them. To determine the concentration of potassium sorbate in orange juice, a new method combining Particle Swarm Optimization (PSO) algorithm with Back Propagation (BP) neural network is proposed. The relative error of two predicted concentrations is 1.83% and 1.53% respectively, which indicate that the method is feasible. The PSO-BP neural network can accurately measure the concentration of potassium sorbate in orange juice in the range of 0.1~2.0 g·L-1.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3549 (2015)
  • LUO Jie, WANG Yu-han, LI Yi-qi, ZOU Yu-ning, LV Xin, and REN Fa-zheng

    Native fat globules composed mainly of triglycerides are secreted as droplets of variable size. The size of fat globules affects the form of fat in dairy products and final functionality, which depends mainly on the composition of the globules and membrane. However, the relation between the composition and size of fat globules has not been studied in detail. In this study, differences in the lipid content and fatty acid composition related to the size of native fat globules were investigated using confocal Raman spectroscopy, which offers the possibility of acquisition and analysis of the Raman signal without disruption of a single fat globule in natural suspension. The results showed small fat globules (SFG) had a higher ratio of band intensities at 2 885/2 850 cm-1, indicating SFG tend to have a triglyceride core in a fluid state with a milk fat globule membrane in a crystalline state. In addition, the SFG had a higher level of unsaturation compared to large fat globules, shown by a lower ratio at 1 655/1 443 cm-1. Using cream with selected SFG would allow a harder and more costly churning process but lead to a softer butter.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3555 (2015)
  • LIU Xiao-zhen, FENG Jun-liang, LIU Xiao-zhou, CHEN Jie, ZHU Wan-wan, and GUI Xiu-min

    La, Ce, Nd, Sm, Eu, Gd, Dy particles and gold nanoparticles were prepared. Effects of La-Au, Ce-Au, Nd-Au, Sm-Au, Eu-Au, Gd-Au and Dy-Au particles on silver staining results were studied, respectively, and UV-Vis absorption spectra of La-Au, Ce-Au, Nd-Au, Sm-Au, Eu-Au, Gd-Au and Dy-Au particles were studied. Times and colors of sports with La-Au, Ce-Au, Nd-Au, Sm-Au, Eu-Au, Gd-Au, Dy-Au particles are longer and darker than that of with gold nanoparticles, respectively. The time of sport with Nd-Au particles is as long as 30 min, which is 2.7 times as long as with gold nanoparticles. Although amount of gold nanoparticles reduced 80%, the color of sport with Nd-Au particles is darker than that of with gold nanoparticles. In 200.00~800.00 nm, La, Ce, Nd, Sm, Eu, Gd, Dy particles and gold nanoparticles has one absorption peak, respectively, and λmax is 275, 277, 276, 276, 278, 277, 278 and 521 nm, respectively. La-Au, Ce-Au, Nd-Au, Sm-Au, Eu-Au, Gd-Au, Dy-Au particles have two absorption peaks, respectively, λmax(RE) and λmax(Au) are 276 and 522 nm, 276 and 522 nm, 276 and 523 nm, 276 and 523 nm, 276 and 522 nm, 276 and 522 nm, 276 and 523 nm, respectively. λmax of Au nanoparticles and La particles occurs red moving respectively, and λmax of Ce, Eu, Gd and Dy particles occurs blue moving, respectively, and λmax of Nd and Sm particles is constant respectively. Rare earths particles and gold nanoparticles may have interaction, respectively.

    Jan. 01, 1900
  • Vol. 35 Issue 12 3560 (2015)
  • Jan. 01, 1900
  • Vol. 35 Issue 12 1 (2015)
  • Jan. 01, 1900
  • Vol. 35 Issue 12 1 (2015)
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