Spectroscopy and Spectral Analysis
Co-Editors-in-Chief
Song Gao
FENG Hai-xia, SUN Da-zhi, SHEN Li, FENG Hai-ying, SHAO Shan-shan, and MENG Xiang-jun

In China, smog pollution is becoming increasingly serious with perennial occurrence. Moreover, it will be likely to exist within a few decades. The effect of smog on the reflectance spectrum measurement is inevitable. The reflectance spectra are the basis of many remote sensing parameters retrieval, so the quantitative analysis of the smog impact on the typical spectral signatures measurement is of great significane. In this paper, different smog conditions( clear sky, PM35, PM75, PM150, PM108) impact on the reflectance spectral curve of the main features(vegetable, cement, soil) is analyzed in a simple simulation laboratory, which is of great importance to remote sensing monitoring and application.The main research conclusions are as follows: the main features(grass, cement, soil) reflectance are the highest under clear sky while the spectral curves are the smoothed; the value of features reflections shows a decreasing trend and the curves experience ups and downs, no longer smooth when the concentration of smog particles increasing; But the decline sees a different trend and there is no obvious law to follow; the smog impact varies according to different bands, moisture conditions and particulate concentration. As a result, it is difficult to eliminate the smog effect with statistical law; the smog impact on the accuracy of many remote sensing parameters and remote sensing applications in many ways. The effects of smog on measured ground object spectrum still need to be further studied.

Jan. 01, 1900
  • Vol. 37 Issue 5 1329 (2017)
  • LING Fang, MENG Qing-long, HUANG Ren-shuai, and ZHANG Bin

    Based on metallic split- ring resonator, the thermally tunable multi- bands terahertz wave modulator has been designed, while the thermosensitive indium antimonide (InSb) has been further embedded in the gap and the side of the split- ring resonator. On the basis, the variation of the electromagnetic properties of indium antimonide with the temperature has been studied first, and then the influence of the number of the equivalent inductance on the number of resonance frequency has been investiagated. Meanwhile, the variation of the modulation characteristics of the terahertz wave with different embedded ways has also been discussed quantitatively. The results show that the intrinsic carrier density and the plasma frequency of indium antimonide both increase with the increasing of the temperature from 160 to 350 K, while the effective permittivity decreases with the increasing of the temperature. According to the relationship between the resonance frequency and the effective permittivity, the resonance frequency of the modulator can be tuned by varying the temperature. Furthermore, there are two resonance bands for the presence of one equivalent inductance, and five resonance bands can further be achieved when the equivalent inductance further increases to four. Hence, the number of the resonance band increases with the increasing of the number of the equivalent inductance. For the two equivalent inductance modulator embedded by indium antimonide only in the side of the split- ring resonator, the modulation of resonance frequency and resonance amplitude is not obvious with the increasing of the temperature from 160 to 350 K, whereas the first resonance frequency increases significantly and the second resonance band disappears gradually with the increasing of the temperature for the case of the modulator embedded by indium antimonide only in the gap of the split- ring resonator. However, the modulation effects of the resonance frequency and the resonance amplitude of the terahertz wave become obviously with the increasing of the temperature from 160 to 350 K when the indium antimonide is embedded both in the gap and the side of the split- ring resonator. The resonance frequency of the different resonance bands increases evidently with the increasing of the temperature. The transmission magnitude of the first resonance frequency increases at first before decreasing with the increasing of the temperature while the others increase with the increasing of the temperature. Consequently, the thermally tunable multi- band terahertz metamaterial can be applied to multi- bands filter or other frequency selective terahertz device.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1334 (2017)
  • QU Dong-sheng, HONG Yan-ji, WANG Guang-yu, PAN Hu, and WANG Ming-dong

    The calibration- free measurement of gas parameters can be realized according to scanning- wavelength modulation spectroscopy technology which is based on tunable diode laser. A method based on an iteration algorithm which can be used to measure gas temperature, pressure and H2O concentration simultaneously is put forward. The iteration algorithm is less sensitive to initial values and has rapid convergence rate. Frequency division multiplexing technology is adopted to study the high temperature combustion flow using the harmonic signals of two H2O absorption transitions (7454.45 and 6 806.03 cm-1 repectively). Compared with thermocouple readings, pressure value of pressure transducer, and H2O concentration by direct absorption spectroscopy, experimental results show that the measured gas temperature, H2O concentration and temperature are consistent with the predicted value and the most relative errors are 7.6%, 8.1% and 7.5% respectively.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1339 (2017)
  • CHEN Yue-e, SHAO Qiu-feng, and JIA Li-xiao

    Photonic crystal fiber laser has been attached great attention by many researches, and preparation of photonic crystal fiber cores becomes the key problem in study of photonic crystal fibers. Nd3+ doped lithium- cadmium heavy- metal silicate glass samples have prepared with the method of high temperature melting, which 40SiO2-14Al2O3-(40-x)CdO-2Li2O-2K2O-2Na2O-xNd2O3 (x=0.07, 0.14, 0.21, 0.35, 0.42, 0.56 mol) samples have been measured absorption and fluorescence spectra. Applying Judd- Ofelt theory, its intensity parameter Ωt(t=2, 4, 6), the oscillator strength and spontaneous radiation probability of the Nd3+ ion, fluorescence branching ratio, and the fluorescence lifetime were theoretically calculated. Using fluorescence spectrum, the stimulated emission cross section of the 4F3/2→4I11/2 transition and the full width at half maximum of the fluorescence band were also measured. The result demonstrates that the Nd3+ doped lithium-cadmium heavy-metal silicate glass sample When mixing Nd2O3 mole fraction of is 0.42 possesses a large stimulated emission cross section and a wide fluorescence band compared with the literature of neodymium ions doped glass. These parameters clearly indicate that this kind of silicate glass has a good laser excitation property and is expected to be applied in the study of the doped photonic crystal fibers.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1345 (2017)
  • ZHAO Yan-ru, LI Xiao-li, XU Ning, YU Ke-qiang, and HE Yong

    Raman spectroscopy technique with fingerprint features has advantages of simple pre- treating, rapid response, high sensitivity and in- situ nondestructive detecting in acquiring biological information. Raman imaging technique could reveal the molecular structure and realize chemical composition content distribution of tested samples and it has advantages in obtaining information of plant cell and tissue. Based on these characteristics, Raman spectroscopy and Raman imaging have been widely applied in detecting the quality of agricultural products. This review mainly focused on the detection of plant physiological information about cellular morphology, structure, metabolites in six primary organs (seed, root, stem, leaf, flower and fruit). Although Raman technology is still in early exploration stage and it is facing many tough challenges, it has a broad space for development in agriculture.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1350 (2017)
  • ZHANG Jin-hao, LIU Chuo, LI Wan, HAO Xiao, WU Yi, FAN Zhi-dong, LIU Lei, and MA Lei

    High- density silicon nanowires were grown on the n-(111) single crystal silicon wafer based on solid-liquid-solid mechanism using Au films as catalyst. Then silicon nanowires were doped with yttrium (Y) with high temperature diffusion method using Y2O3 powder as doping source. The experimental parameters were doping temperature of 900~1 100 ℃, doping time of 15~60 min and N2 flow rate of 0~400 sccm. The morphology of nanowires was measured with scan electron microscopy (SEM). The composition and crystalline orientation of nanowires were analyzed with X-ray diffraction (XRD). The measurement and characterization of excitation and emission spectrum of silicon nanowires were carried out with F-4600 fluorescence spectrophotometer. The SEM images show that the curved, winding silicon nanowires with uniformly size and high density were grown on the surface of silicon wafer. The average diameter and length of silicon nanowires are about 100 nm and several tens of microns, respectively. The photoluminescence spectra of undoped silicon nanowires were measured with an excitation wavelength of 214 nm at room temperature, which exhibits a broad blue emission in the range of 450~480 nm with the center peak of 470 nm. The blue emission band is derived from the oxygen vacancies in the amorphous SiOx shell of the Si nanowires. Also, the photoluminescence spectra of Y doped silicon nanowires were measured, which consists of a broad blue emission band in the range of 470~500 nm with the center peak located near the 488 nm and a narrow yellow-green luminescence band in the range of 560~600 nm with two emission peaks of 573.6 and 583.8 nm. The experimental results show that with the increase of doping temperature from 900 to 1 200 ℃, the strength of the yellow-green light emission band has experienced increase firstly and then decrease, the maximum value appears at 1 100 ℃. In addition to the temperature, a similar phenomenon was also observed by changing the doping time and nitrogen flow. The yellow-green luminescence intensity of Y doped silicon nanowires increases firstly and then decreases with the increasing of the doping time (from 15 to 60 min) and nitrogen flow rate (from 0 to 400 sccm), the maximum value appears at 30 min and 200 sccm, respectively. In order to explore the source of yellow-green emission band in the range of 560~600 nm of Y doped silicon nanowires, X-ray diffraction is carried out. The results show that two major compounds can be formed, namely, Y2Si2O7 and Y2SiO5 with high temperature diffusion Y into the silicon nanowires. We believe that Y3+ can introduce impurity energy levels in the band gap of silicon nanowires. Therefore, the luminescence mechanism can be described as follows: First, the silicon nanowires absorb photons, forming photo electrons in the conduction band. Then, electrons relax to the impurity levels. Finally, electrons jump to the valence band of silicon nanowires, and emitting yellow-green light.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1357 (2017)
  • XU Zheng, ZHAO Su-ling, PENG Xiao-bo, GAO Chen-jia, GAO Yi-qun, and WANG Yun

    The white LEDs phosphor used currently mainly are blue GaN chip which excites yellow, green, and red earth phosphor. The technology of yellow and green phosphor has been mature, while red phosphor with stable performance is relatively rare. Therefore, a new type of red phosphor excited by blue light needs to be developed. In this paper, compared with the traditional high temperature solid-phase synthesis method, a series of efficient spherical monodisperse calcium tungstate red luminescent materials CaWO4∶Sm3+ and CaWO4∶Eu3+ with high luminescent performance were synthesized with hydrothermal method at lower temperatures 160 ℃. The crystal structure, surface topography and optical characteristics of the prepared samples were measured with X-ray powder diffraction (XRD), field emission scanning electron microscope (FE-SEM), and fluorescence spectroscopy (PL). The effect of the doping concentration, reaction time and other conditions on the morphology and fluorescence properties of the samples had been studied. The results show that doping concentration affects not only the morphology of the prodcucts, but also the fluorescence intensity of light-emitting phosphor.CaWO4:Sm3+ and CaWO4∶Eu3+ present the most efficient light-emitting performance when the doping concentration of the Sm3+ and Eu3+ are 6% and 4%, respectively. According to the results above, CaWO4∶Sm3+ and CaWO4∶Eu3+ can be used as a phosphor materials of fluorescent lamp and blue chip LED.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1363 (2017)
  • CHEN Chun-sheng, DAI Meng-yan, HUANG Wei, MU Ying-lin, JIA Hong-xin, ZHANG Tong, LI Wei, and XIE Chang-you

    In order to counter infrared dual color (1~3, 3~5 μm) guide system that is widely applied nowdays, one type of new infrared dual color decoy wihich can simulate infrared dual waveband radiation characteristics was designed and prepared in this paper. Image IR8325 infrared thermal imaging system was employed to investigate the flame temperature variation and temperture distribution of decoys. In order to analyze the influencing factor of radiation intensity and dual color ratio of the decoy, SR5000 spectrum radiometer and remote sensing interferometer spectrometer Tensor37 were adopted to investigate static infrared radiation characteristics of dual color decoys and gained its time-domain and frequency-domain characteristic. For the sake of studying the change laws of radiation intensity and dual color ratio of dual decoy which is under high speed flight station, the combustion wind tunnel was employed to investigate the dynamic radiation characteristic and it indicated the different attenuation mechanism of the dual color decoy between the traditional decoys. The test results indicates that the flame temperatue of the dual color infrared decoy temperature is between 850~1 100 ℃ and it is approximately similar to that of the plane target. The color ratio of infrared radiant intensity is from 1 to 3(1<I3~5 μm∶I1~3 μm<3) and 3~5 μm band infrared radiant intensity is tunable from 0.9 to 2.5 kW·sr-1. It is proved that the dual color decoy as-designed has excellent characteristics.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1368 (2017)
  • HU Wen-yan, WANG Yu-heng, ZHANG Xiao-shuan, LI Jun-hui, WANG Zhong-yi, and ZHAO Long-lian

    The optical parameters of biological tissue are closely related to tissue’s physiological, biochemical and pathological process. We could learn about the internal structure and characteristic of the biological tissue by determining and reconstructing the 3D image of optical scattering and absorption coefficients. Based on the frequency-domain near-infrared spectroscopy, the imagent system of ISS Corporation in USA and the technology of multi-source and multi-detector were used to complete the experiment. In the experiment, a tank was filled with milk and a little ball was put into the milk, we shined the modulated laser signal which wavelength was 830 nm into the milk and detected the intensity and phase of the emergent light. Then, optical diffusion tomography was used to reconstruct the location of little ball in the milk by calculating the optical scattering and absorption. Experiment results showed that we could calculate the optical scattering and absorption coefficients of the milk and the little ball accurately by using the frequency-domain near-infrared spectroscopy. And we could also locate the position of the little ball in the milk. Therefore, it was considered that the frequency-domain near-infrared spectroscopy could be applied in the field of agricultural product quality detection such as analysis the lesion location of the fruits and vegetables.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1374 (2017)
  • LU Xiao-pei, JIANG Cun-cang, DONG Xiao-chang, WU Xiu-wen, and YAN Lei

    Boron (B) is an essential trace element for higher plants, the threshold between deficiency and toxicity is narrow, so the problems of yield and quality of crops due to B deficiency and B toxicity have been attracting great attention home and abroad. To investigate the effects on the component and structure changes in leaf of two kinds of citrus rootstocks (citrange and trifoliate orange) under B stress situations by using Fourier transform infrared (FTIR) spectroscopy. The results showed that: (1) the growth of citrus rootstock was inhibited by the low B and high B stress situations. Symptoms of B-toxicity were first appeared in old leaves as tip yellowing in trifoliate orange, in contrast, almost no visible symptoms occurred in citrange, suggesting that citrange was more tolerant to B-toxicity than trifoliate orange. (2) the characteristic peaks were at 1 153, 1 053 and 1 028 cm-1 disappeared due to low B stress in trifoliate orange, but only 1 055 cm-1 disappeared in citrange, and relative absorbance of other peaks was increased compared with control, suggesting that the structure of cellulose glycosides, soluble sugar and ribosome in leaf changed and other components increased under low B stress in trifoliate orange, only soluble sugar changed in citrange ones. Thus, the effect of low B stress on trifoliate orange is higher than that of citrange. (3) the characteristic peaks at 1 153, 1 053 cm-1 disappeared due to high B stress in trifoliate orange, however, 1 024 cm-1 disappeared in citrange, the relative absorbance of other peaks was reduced compared with control, indicated that the structure of protein and soluble sugar in leaf changed and other compositions reduced under high B stress in trifoliate orange, and ribosome changed in citrange ones. Therefore, the effect of high B stress on trifoliate orange is higher than that of citrange in polysaccharide structure. Results show that citrange was more tolerant to low B and high B stress than trifoliate orange, and one of the key factors contributing to the result is the differences of B effect on chemical composition and structure between two rootstocks.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1380 (2017)
  • ZHAO Sheng-yi, RAN Hang, JIN Zhao-xi, CUI Yong-jin, YAN Yan-lu, and AN Dong

    This paper focus on the effects of a high strength and high efficiency near infrared light source on the identification of corn hybrids under different light source voltage and different distances from the light source to the spectrograph based on the near infrared transmission(NIT) spectroscopy (wavelength range 908.1~1 677.2 nm) with the Nonghua 101 corn seeds harvested from Hainan province in 2009 as the research object. After the first order derivative and vector normalization of the spectra, the spectral characteristics are extracted using principal component analysis (PCA) and orthogonal linear discriminant analysis (OLDA) before the establishment of the model using support vector machine (SVM). Then the recognition rate under different experimental conditions is caculated. The results show that the lower voltage source or a larger distance from the spectrometer to the light source causes lower light intensity resulting to the spectrum curve with more burrs and the lower recognition rate. By increasing the voltage or decrease the distance from the light source to the spectrometer, the spectral curve becomes relatively smooth, and the recognition rate is significantly increased, indicating that the rate of correct identification of the model can be enhanced by increasing the light intensity within a certain range.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1386 (2017)
  • ZHAN Hao, WU Hong-wei, ZHANG Dong, LIU Meng-ting, TANG Li-ying, LI Hua, WANG Zhu-ju, YANG Bin, YANG Lan, FANG Jing, and FU Mei-hong

    A quick and nondestructive method using near-infrared(NIR) diffuse reflectance spectroscopy was presented for the determination of the contents of calycosin-7-glucoside and astragaloside in astragali radix. With liquid chromatograph/mass spectrometer analysis of the reference value, partial least squares method was applied to establish a quantitative analysis model on calycosin-7-glucoside and astragaloside. The results showed that the model of calycosin-7-glucoside had optimal performance with pretreatment method of multiplicative scatter correction, first derivative and Savitzky-Golay convolution smoothing. The determination coefficients was 0.826 6 whiel the root mean square prediction(RMSEP)was 0.022 7; determination coefficients of calibration set was 0.863 5 and the root mean square error of calibration (RMSEC) was 0.019 0. Astragaloside after second derivative and Savitzky-Golay convolution smoothing, the determination coefficients was 0.854 8, the root mean square prediction was 0.006 41; determination coefficients of calibration set was 0.796 3 and the root mean square error of calibration was 0.007 99. Studies have shown that near infrared spectroscopy combined with partial least squares method is rapid, reliable and it could be implemented in the content detection of Calycosin- 7- glucoside and astragaloside in Astragali Radix.In addition,In addition, through the analysis of Principal Component analysis,it can be found little difference between the regions of Gansu and non- Gansu, there will be higher degree of differentiation among Shanxi,Sichuan and Jilin after elimination the region of Gansu Astragalus.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1391 (2017)
  • LIU Peng, JIANG Xue-song, SHEN Fei, WU Qi-fang, XU Lin-yun, and ZHOU Hong-ping

    The quality of peanut products were rapidly and non-destructively assessed for storage and edibility safety. Near infrared spectroscopy (NIRS) was applied to develop qualitative and quantitative methods to determine the toxigenic fungal contamination levels in peanuts. Firstly, clean and fresh peanuts were sterilized with Co-60 and inoculated individually with five common toxigenic fungal species in grains, namely A. flavus 3.17, A. flavus 3.3950, A. parastiticus 3.395 0, A. parastiticus 3.012 4, and A. ochraceus 3.648 6. The samples were then incubated for 9 days under suitable conditions (26 ℃, RH 80%). Secondly, diffuse reflectance spectra were collected from peanut samples in the wavenumber range 12 000 to 4 000 cm-1 at different time during the inoculation. Analysis models were developed with principal component analysis (PCA), discriminant analysis (DA) and partial least squares analysis (PLSR), respectively. The results showed that the inoculated different fungal species of peanuts can be effectively distinguished during different storage periods. After peanuts samples were incubated for 0, 3, 6 and 9 days, the overall classification accuracy would be 100% and 99.17% for the treatment of individual fungal and total fungal species by using DA analysis models. PLSR models were also developed to predict the number of colonies of peanut samples with the coefficient of determination of the validation set (R2P) of 0.874 1, root mean square error of cross-validation (RMSECV) of 0.276 Log CFU·g-1 and residual predictive deviation (RPD) of 1.92. The results indicated that the NIR technology could be used as a reliable and rapid analytical method for determination of fungal contamination in peanuts, which could realize quality and safety control in the process of storing of peanuts.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1397 (2017)
  • SONG Wei, LIU Zhuo, QI Bao-ling, GUO Yue, WANG Li-li, WANG Hai, HE Cheng-yan, and ZHAO Bing

    Most of diseases are closely related to bactrerial infection while the fast and accurate detection of bacteria is always a focus subject which has attracted great attention by microbiologists and other relevant researchers. Raman spectroscopy can provide rich spectrum information, and surface- enhanced Raman Spectroscopy (SERS) has a high detection sensitivity, however, some of the noble metal SERS substrate will cause protein denaturation, which obtained the incorrect results. In this work, it is shown that Escherichia coli (E.Coli) can be detected by the SERS technique by using semiconductor nanoparticles as the substrate. The SERS spectrum of the E.Coli on the ZnO nanoparticle substrate with that on the Ag sol substrate was compared. The results indicated that stronger and richer SERS signals were observed on the Ag sol substrate compared with that on the ZnO substrate. However, an obvious difference was obtained between SERS spectrum of E.Coli on the Ag sol substrate and the Raman spectrum of bulk E.Coli, which could be due to the protein denaturation process. On the other hand, although the SERS signal of the E.Coli on the ZnO nanoparticles substrate is relatively weak, the signal is similar with that of the Raman spectrum of the bukl E.Coli, indicating that ZnO nanoparticles is an efficient and biocompatible SERS substrate for the detection of E.Coli. This study provides the important information for the non- destructive detection of bacteria by SERS technique based on the semiconductor nanoparticles substrate.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1403 (2017)
  • XU Chong, SHI Wei-zhao, and LI Zhi

    Ferroelectric nanomaterials BaTiO3 have uniform size and nano crystal structure morphology. In this paper, LRS-Ⅲ laser Raman/fluorescence spectrometer is used as a measurement instrument for the analysis of solid nanomaterials BaTiO3. Four kinds of non doped ferroelectric nanomaterials are obtained with alkali-heat treatment, labeled pure 1, pure 2, pure 3 and pure as standard sample to be tested; the other two materials doped with different concentrations of EU (europium) elements were labeled as doped 1 and doped 2 to be measured. In this study, we not only compared laser Raman spectra of BaTiO3 with different sintering temperature and time, and gave the corresponding explanation. Meanwhile, we also did a comparative analysis to study the impact of doping on the Raman spectrum. The results show that the Raman spectra of the solid materials with the same composition are similar, and the doping induced changes in the Raman spectra. Finally the correlation coefficient of doping material and none doping material are adopted for further analysis. In conclusion, even if the amount of doping is relatively small, it has a significant impact on the correlation coefficient. Combined with correlation coefficient we can easily determine whether two kinds of substances are similar.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1408 (2017)
  • CHEN Si, GUO Ping, WAN Jian-chun, LUO Peng-jie, WU Rui-mei, and WANG Wen-jun

    In this paper, surface enhanced Raman spectroscopy (SERS) was employed to realize quick detection of illegally additive (sodium saccharin sweeteners) in spirit. Gold colloid was used to enhance Raman signal of molecule. Several parameters such as the volume ratio of gold colloid, detection sample and sodium chloride solution, time of mixing, pH value of working buffer were optimized. The results illustrated that the strength of Raman signal was maximum when the volume ratio of gold colloid, detection sample and sodium chloride solution, time of mixing, pH value of working buffer were 1∶1∶0.5, 5 min and 4, respectively. Contrasting the test values of sodium saccharin sweeteners and the simulation values with Density Functional Theory, and three characteristic peaks of sodium saccharin sweeteners such as 1 148, 1 164 and 1 296 cm-1 were found. These characteristic peaks could be as a basis for qualitatively and quantitatively analyzing sodium saccharin sweeteners in spirit. The standard curve of saccharin sodium concentration in spirit was established based on the strength of 1 164 cm-1. The results indicated that the curve possessed a good linear relationship within the range of 1 and 20 mg·L-1, and the determination coefficient was 0.993 3. Average recovery of saccharin sodium in spirit was 98.57%~102.5%, and the relative standard deviation (RSD) was 2.44%~8.6%. The minimum detectable concentration of sodium saccharin sweeteners in spirit reached to 1 mg·L-1 and the detection time of a sample was within 10 min. The study indicated that SERS method could rapidly and accurately identify saccharin sodium sweeteners in spirit. This study can offer a method as a support for the development of real-time and rapid detection device in liquor.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1412 (2017)
  • WANG Hai-yang, WU Zhi-jing, JIANG Li-xia, JIN Tan-tan, and LIU Yan-de

    In this paper, vetiver was selected as reserch material. It was taken from soil remediation semonstration base around Jiangxi Copper Guixi Smelter. It can enrich heavy metals. It put forward a detection method of measuring heavy metal lead in the vetiver grass roots using Raman spectroscopy combined with resin absorption in this paper. Nitrogen atom and Oxygen atom in functional groups of D401 resin can form a stable compound with metal ion. Firstly, vetiver enriched solution of heavy metals lead ion, then it was determined with HM- 5000P Multi- function portable heavy metal analyzer. The complexion after functional groups in the D401 resin absorbed by heavy metals in plant have certain Raman spectrum information. Therefore, it can be used for indirect detect analysis the amount of heavy metals enriched in plant. In this paper, it proposed a detection method of measuring heavy metal lead in the vetiver grass roots using Raman spectroscopy combined with resin absorption. Partial least squares (PLS) combined with different spectral preprocessing methods was adapt to establish the quantitative analysis model of heavy metal lead in the vetiver grass roots department. After combined S.G. smoothing with first order differential pretreatment the optimal model got with the result that rp and RMSEP reached 0.854 and 5.658% respectively. The research showed the feasibility to detect heavy metal lead in the vetiver grass roots department combined Raman spectroscopy and D401 resin adsorption technique.This study examined the Pb of vetiver grass, which has great significance for the content of heavy metals in environmental assessment.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1418 (2017)
  • YUAN Jian-ying, WU Yu-tian, MU Lan, ZENG Xi, and WEI Gang

    A simple quinaldine derivative probe for cation and anion was investigated with spectroscopy. In probe molecular structure, the conjugate aromatic ring group was introduced at 2- of 8-hydroxyquinaldine to form a large conjugate structure, which enhances the photoluminescence quantum yield. N and O atoms of probe provide good coordination point, which can cooperate with ion selectivity and change its fluorescence properties. In CH3CN/H2O solution, probe emits blue fluorescence at 415 nm, however, Fe3+ led the fluorescence quenching. The 1∶1 stoichiometry of probe with Fe3+ was confirmed. IR spectrum and 1H NMR titration spectra speculated that the nitrogen of quinaldine group and the two carboxylate oxygen are involved in the complexation, inducing photoinduced electron transfer transfer process cause the fluorescence quenching. The complexation was an exothermic reaction driven by entropy processes. In CH3CN solution, the emission intensity of probe at 415 nm reduced when a new emission appeared at around 560 nm with the addition of F-, blue fluorescence changed to yellow, exhibited a ratio fluorescence emission. The absorption bands at 280 and 340 nm reduced while a new absorption appeared around at 455 nm with the addition of F-, exhibited a ratiometric absorbance, and the color changed from colorless to orange, which could be observed by the naked eye. It is noteworthy that the ratio fluorescence/absorbance change could be potentially useful for the quantitative determination of F-. 1H NMR titration spectra speculated that the reaction of probe and F- through hydrogen bonding effect. The probe can monitor Fe3+ and F- simultaneously as a dual-function chemsensor, and the limit of detection are 13.6 nmol·L-1 and 1.6 μmol·L-1 by fluorescence spectroscopy, and the limit of detection is 16.5 μmol·L-1 to F- by absorption spectroscopy. Making use of the obvious color change of probe with F- for both visible light and fluorescence could be readily distinguished by the naked eyes. A method of visual detection of trace F- was established with intuitionistic, rapid, sensitive and easy operability.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1424 (2017)
  • ZHU Wei-hua, CHEN Guo-qing, ZHU Zhuo-wei, ZHU Feng, GENG Ying, HE Xiang, and TANG Chun-mei

    Chinese liquors with different years have become the focus of the enterprise development as the high-end products in the industry. But the standards about the years of the product have a greater randomness. Therefore, to establish a technical standard of liquor’s year has become desperately needed in order to regulate the industry and the market. Based on three-dimensional fluorescence spectra of the original degree Chinese liquors with different years, which belongs to a well-known series in China, this article establishes a year forecast model of Chinese liquors. The research contents and innovations are as follows: firstly, from the analysis of correlation between the fluorescence spectra and the liquor’s year, it is found that the correlation coefficient of three-dimensional fluorescence spectra between 0.5 year and others reaches to 0.811 4. The year information in the original spectra are mainly distributed in the area of the excitation wavelength of 200~230 and 250~320 nm and the emission wavelength in the band of 400~500 nm. The year information of the derivative spectrum distributes widely and its dispersion is high, in which the two order derivative spectra of the year information distribute more discrete. Secondly, the correlations of the two-dimensional fluorescence spectra with the excitation wavelength of 300 nm is studied. The results show that there is a high multicollinearity in the original fluorescence spectra. The value of the correlation coefficient is close to 1, in the whole range of the emission wavelength of 400~600 nm. The resolution capability can be improved after derivation, and the multicollinearityalso can be reduced at this time. Two order derivative has a better effect on the suppression of multicolinearity while most of the correlation coefficient are less than 0.6. Finally, the year forecast model of the Chinese liquors is established with the excitation wavelength of 300 nm using quantum genetic algorithm and wavelet neural network. The concept of spectral modeling information density is proposed. It is found that the error of the root mean square of original spectra in the prediction reaches to 5.4 years. The modeling effect is the worst. The main reason for this is that the original spectrum has a serious of multicollinearity, which leads to the correlation between the spectra and the year are not significant and the changes are slowly. The derivation spectra have a higher information density and a better effect of modeling than the original spectra. The validation set correlation coefficient of the second derivative spectra can reach to 0.999 8, and the error of the year forecast is 0.79 years. The research results provide not only a convenient optical method for the year calibration of the liquor, but also an important reference for the fluorescence spectra research of the multi-component gradient system.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1431 (2017)
  • YOU Jia, LI Jing-bin, HUANG Di-yun, and PENG Shun-zheng

    In order to seek a method which can detect delinted cottonseeds vigor rapidly and non-destructively. Hyperspectral imaging is an emerging technique that is applied in detection of agricultural products in recent years. Experiments of three varieties of delinted cottonseeds with different aging degree were conducted, including Xin Luzao 50, Xin Luzao 57, Xin Luzao 62. The hyperspectral image of 810 grain of delinted cottonseeds in the range of 450~1 000 nm was collected with hypersectral imaging system. Different pretreatment methods were combined and chauvenet detection method excluding outlier was applied to establish a partial least squares (PLS) , Stepwise Multiple Linear Regression (SMLR), Principal Component Regression (PCR) model. The results shows that the best combination of two kinds of pretreatment methods were standard normal variate (SNV), Savitzky-Golay (S-G) smoothing, First derivative and standard normal variate (SNV), First derivative, Norris Smoothing. After preprocessing, combined with the range of 480~530, 650~980 nm to establish three different kinds of models. The partial least squares (PLS) model effect is the best. As for the prediction set and calibration set of PLS model of conductivity, Xin Luzao 50, Xin Luzao 57, Xin Luzao 62, correlation coefficient of prediction set and correlation coefficient of calibration set were 0.92, 0.95, 0.92, 0.90, 0.89, 0.90. Xin Luzao 50, Xin Luzao 57, Xin Luzao 62 root mean squared error of prediction (RMSEP) and root mean squared error of calibration (RMSEC) were 44.3, 38.4, 37.8, 46.5, 43.5 and 40.8 μS·cm-1, respectively. This paper studied the applicaiton of hyperspectral image technology to detect the vigor of delinted cottonseeds, not only provides a new method for detecting delinted cottonseed vigor, but also lays a theoretical foundation for other seed vigor test.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1437 (2017)
  • YANG Yu-dong, YANG Lin-mei, LIU Gong-zhao, LI Dong-zhi, and XU Jing-hua

    Because of special local surface plasmon resonance (LSPR) property, plasma nanoparticles,especially gold nanoparticles (AuNPs), AuNPs particles have high conductivity of optical signals localized on the surface from physical or chemical irritants.In the past decades, it has been widely used in biological detection and imaging including single cells spectral analysis and cell imaging based on optical properties of gold nanoparticles.Developments of optical detection and spectroscopy methods for single cell are key advances for applications and fundamental understanding of the novel properties exhibited with nanosize systems. These methods are reviewed, focusing on optical approaches based on light absorption and elastic scattering.In this paper,environment detection and imaging of the cells based on gold nanoparticles is reviewed. Cell dynamic real- time measurement at single cell level with the basic principles and unique related methods about the interaction between light and cell is discussed.The principle and method spectral analysis of single cell test and the advantages of these methods and challenges are focused, and describes the recent progress in the research of this field, such as probing cellular and subcellular environments,monitoring cellular response and cell deathinduction, biomolecule identification and quantification, drug action and release,and cancerous diagnosis and treatment.Finally the study reflects future developing directions.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1442 (2017)
  • LI Shuai-dong, JIANG Quan-liang, LI Ye, WU Ya-lin, JIANG Jun-wu, HUANG Tao, YANG Hao, and HUANG Chang-chun

    Ultraviolet-visible (UV-Vis) and three-dimensional excitation emission matrix fluorescence (3D-EEM) spectroscopies, combined with parallel factor analysis were conducted to investigate the structure and origin of dissolved organic matters (DOM) from soils around Dianchi lake, Kunming. The results showed that the characteristics of all samples’ UV-Visible spectra were alike. The absorption coefficient of DOM samples decreased gradually with the wavelength increasing. There was an obvious shoulder absorption peak in the 250~280 nm band. Additionally, in Chaihe reservoir and the east of Dianchi lake, the aromaticity (A250/A365), molecular weight (SR), humification degree (SUVA254) and hydrophobicity (SUVA260) of soil’s DOM were all much higher than those at other three sampling sites. The 3D-EEM spectrum revealed that all DOM samples around Dianchi lake had four special peaks, which were UV fulvic-like fluorescence, visible fulvic-like fluorescence and two humic-like fluorescences. Fluorescence index (FI) and Autochthonous index (BIX) suggested that soil’s DOM were main from the external import and had low protein-like components and bioavailability. Four fluorescence components were identified with parallel factor analysis and showed significant correlation (p<0.01), which were illustrated that the four fluorescence components had a similar source. In addition, the contribution rates of fulvic-like fluorescence component was the highest, which suggested that the content of fulvic acid material was relatively higher in soil’s DOM.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1448 (2017)
  • WANG Xin-xin, LI Yan, AN Li-ping, GAO Huan-yuan, CAO Qing, and JIN Li-e

    As an important natural antioxidant, superoxide dismutase has been widely applied in fields such as diseases treatment as well as food, cosmetics and agriculture industries. In view of the poor stability of extraction quantity of SOD , the extraction of superoxide disutase from Lycium (SOD-LY) was carried out by salting-out separation with different levels of ammonium sulphate and reprecipitation with acetone in sequence. Its type was determined with ultraviolet spectrometry. The influence of different types of zinc salts such as ZnSO4, ZnCl2, Zn(CH3COO)2, Zn(NO3)2 on activity of SOD-LY was investigated. The zinc salt enhancing its activity effectively was selected. The mode of interaction between the zinc salt selected and SOD-LY was studied with Fourier transform infrared spectroscopy, ultraviolet spectrum and fluorescence spectrometry. The analysis of results of ultraviolet spectrometry had shown that the SOD-LY extracted in the experiments consisted the type of Cu/zinc-SOD. The activity of SOD-LY can be influenced by different concentration of zinc salts such as zinc nitrate, zinc acetate, zinc chloride, sulfuric acid zinc and ethylene glycol. Among the investigated zinc salts, the activity of SOD-LY can be enhanced through using Zn(NO3)2 greatly. The analysis of infrared spectroscopy demonstrated that β-sheet layer, β-corner and β-antiparallel all decrease, however, α- helix and unordered curling increases for the secondary structure of SOD-LY in the presence of Zn(NO3)2, This may be due to the presence of weakly interacting complex between them. Analysis of fluorescence spectrometry indicated that the fluorescence intensity of SOD-LY decreased due to the addition of Zn(NO3)2 whose binding constant was 1.666×103 L·mol-1 while the binding site number was 1.238 according to the double logarithmic regression curve analysis. The distance is 3.62 nm by overlapping coverage area of the UV absorption spectra of SOD-LY and the fluorescence emission spectra of Zn(NO3)2-SOD-LY. The main action existed between Zn2+ and SOD-LY is electrostatic forces (ΔH0). The study has a great theoretical significance for increasing the activity and stability of SOD, including the extension of its application.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1455 (2017)
  • GUO Bing-bing, HOU Di-bo, JIN Yu, YIN Hang, HUANG Ping-jie, ZHANG Guang-xin, and ZHANG Hong-jian

    In recent years, water quality security issue has aroused widespread social concerns. Ultraviolet and visible absorption spectrum for real- time monitoring of water quality has the advantages of in- situ detection as well as no need for reagents and rapid analysis, which makes it suitable for online detection. However, the ultraviolet and visible spectra are of large size and easily interfered by instrument and the normal water quality fluctuation, which affect the water quality anomaly detection result. In this paper, the baseline correction and principal component analysis method for UV/Vis spectra is proposed to detect abnormal water quality. The asymmetric least squares algorithm is used to correct the baseline and the principal component analysis for UV/Vis spectral matrix is adopted to reduce dimensions and extract features. Afterwards the outliers in the test samples are evaluated according to the Q statistic in the residual subspace. Finally, anomalies warning is updated by calculating the cumulative probability. The performance of the proposed method is evaluated by using data from phenol injection experiments. Results show that the proposed method effectively improves the detection limit of pollutants and has a higher detection rate and lower false alarm rate compared with the result without baseline correction.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1460 (2017)
  • QI Han-bing, LI Shu-ting, WANG Qiu-shi, WU Guo-zhong, and LI Dong

    The method of optical detection to test polyacrylamide solution was developed which took advantage of TU-1901/1900 double-beam UV-Vis spectrophotometer and IRPrestige-21 FT-IR Spectrometer to measure the transmitted spectrum of polyacrylamide solution in the range of 5~600 mg·L-1 concentration. The spectrum characteristics and inverse analysis their concentrations of polyacrylamide solution within the wavelength of 190~900 nm and 400~4 000 cm-1 were investigated. The results show that there are strong absorption of polyacrylamide solution in 200~300 nm, 400~920 cm-1, 2986~3 684 cm-1 and the transmittances of solution with different concentrations have linear relationship at 220 nm and 2 623 cm-1; the maximum calculation error to inverse the unknown concentrations successively are 6.98%, 2.34% and 0.79%, when inversion calculation uses 2, 3, 4 measured values in ultraviolet band.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1466 (2017)
  • YANG Yi-fan, LI Zhe, CAI Hong-xing, LI Yan, and LI Shuang

    In the separation process of temperature and emissivity from spectra data, there is an underdetermined problem, N equation containing N+1 unknown number. In this paper, Newton’s method is used to inversion calculate the surface temperature and the emissivity of the material. The iterative formula is established with Taylor series linear terms. Given the initial temperature and emissivity, an approximate solution of temperature and emissivity is obtained through iteration. In this paper, the Theoretical value of thermal radiation and the experimental data of cavity blackbody were used to verify ,the results show that the inversion temperature obtained with the given any initial values of temperature and emissivity are close to the true temperature. The relative error is lower than 0.09. For different emissivity models, the lineshape of the inversion emissivity is consistent with that of the true emissivity. The initial values of temperature and emissivity are closer to the true temperature and emissivity, which gives rise to more accurate inversion results. This method eliminates the emissivity assumed model limits. It is expected to be used the inversions of the surface temperature and the emissivity of the material based on the thermic spectra in high temperature and ultra high temperature.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1471 (2017)
  • WANG Fang, MA Zong-min, ZHAO Min, LIN Zhao-dong, ZHANG Shao-wen, QU Zhang, LIU Jun, and LI Yan-jun

    Nitrogen-vacancy (NV-) centers of diamond can realize the function of high-sensitivity physical quantity detection with superior photo-luminescence properties. The concentration of NV- centers is one of the main factors that affect the physical quantity detection sensitivity in the macro field. The paper studied and analyzed the relationship between different electron injection doses and the concentrations of NV- centers. The research method was carried out as follows: firstly, diamonds were exposed to electron irradiation and further subjected to high temperature annealing in vacuum in order to prepare NV- centers; then, a Raman spectrometer was utilized to test the fluorescence spectra of diamond in the following three stages: before and after electron irradiation, and after annealing, so that the Raman spectral characteristic of diamond was analyzed during the NV- center preparation process; finally, the concentrations of the prepared NV- centers were estimated, and the influence rules of different electron injection doses on the concentrations of the NV- centers were also explored. The results show that after electron injection is performed on diamond, luminescence defects of 524.7, 541.1, 578 and 648.1 nm are formed, wherein centers of 524.7 nm are commonly found in HPHT synthetic diamond subjected to electron injection. After annealing at high temperature (≥800 ℃) in vacuum (≥10-7 Pa) is performed on diamond subjected to electron injection, vacancies move freely, the unstable defects disappear, and nitrogen-vacancy centers are formed when the vacancies are bound while moving close to nitrogen atoms. For diamond with a nitrogen content of 100 ppm, the relationship between the concentrations of NV- centers and the electron injection dose was in line with Boltzmann distribution when the number of vacancies produced with electron injection is smaller than 120 ppm (2.1×1019 cm-3). This study provides a reference basis for quantitative preparation of NV- centers by utilizing diamond with the nitrogen content of 100 ppm, and further lays a foundation for application of NV- centers to precision macroscopic physical quantity measurement.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1477 (2017)
  • MENG Lei, WU Yong-feng, HU Xin, L Guo-hua, REN De-chao, and SONG Ji-qing

    To explore the characteristics of hyperspectral reflectance responding to late frost damage in winter wheat canopy under different topsoil moisture levels and test abilities of sensitive wavelengths to predict extents of yield change, respectively, pot experiments with three levels of topsoil moisture of Dry (20%) were conducted at the jointing stage of winter wheat in the year of 2013 and 2014. After topsoil moisture treatments, frosting experiments were carried out in a specified cold climate chamber. This study analyzed differences of the ear number per plant, kernel number per ear, 1000-kernel weight, yield per plant and canopy spectral reflectance and corresponding first derivative reflectance of the frosted winter wheat canopy under different topsoil moisture levels. Correlativity and linear fitting were made for hyperspectral parameters and yield change rate of the frosted winter wheat. The results indicate that (1) kernel number per ear and yield per plant generally have a reducing trend with the decrease of topsoil moistures. Late frost injuries showed the most significant (p<0.05) influences on winter wheat yield under conditions of the treatment Dry. (2) In green peak region (near 523 nm), yellow edge region (near 571 nm), red edge region (near 732 nm) and two water absorption bands (around 952 nm and 1 145 nm) of the near-infrared region, the first derivative reflectance of winter wheat canopy was more different under conditions of the treatment Dry + Frost than the treatment Moderate + Frost and Wet + Frost. (3) After removing the influences of different topsoil moistures on spectrum reflectance, difference curves of the first derivative reflectance responding to late frost damages under the treatments Dry, Moderate and Wet were quite different mainly in the yellow edge region (centered at 570 nm) and the red edge region (centered at 710 nm). (4) In the two years experiments, yellow edge area (SDy) and first derivative value at 570 nm (d570) were significantly (p<0.05) and positively correlated with yield change rate (YCR) of the frosted winter wheat, respectively, which shows that hyperspectral parameters in the yellow edge region can be used to detect the differences of late frost damage due to the different topsoil moistures impacts. This study will provide a basis for prediction of the variations in winter wheat yield under the stacking effects of different topsoil moistures and late frost damages using hyperspectral reflectance parameters .

    Jan. 01, 1900
  • Vol. 37 Issue 5 1482 (2017)
  • WANG Hong-bo, ZHAO Zi-qi, LIN Yi, FENG Rui, LI Li-guang, ZHAO Xian-li, WEN Ri-hong, WEI Nan, YAO Xin, and ZHANG Yu-shu

    Based on the leaf area index (LAI) and canopy hyperspectral data during growing season of spring maize under different soil moisture conditions in Jinzhou, Liaoning province in 2013, the relationship between LAI and the characteristics of canopy hyperspectral in different development periods with different growth status were analyzed. Canopy spectral reflectance, its logarithm of the reciprocal and its first derivative in 350~2 500 nm of 313 valid data sets were collected and calculated, after rejecting the bands which were serious influenced by the atmospheric water content. Multivariate step linear regression (MSLR) and partial least squares regression (PLS) were used as the dimensionality reduction methods to establish the maize LAI models, and the models' precision were compared and tested respectively. The results show that, the LAI of spring maize has significant negative correlation with the spectral reflectance of visible band (350~680 nm), and infrared band (1 430~1 800 and 1 950~2 450 nm), but it has significant positive correlation with the logarithm of the reflectance reciprocal in these bands. The reflectance first derivative and LAI have significant positive correlation bands in visible band and infrared band (350~1 350 nm). Linear regression algorithm of spring maize LAI with the whole band of hyperspectral data, using PLS with the spectral reflectance as the independent variable to establish the LAI model, the fitting degree is better than that of MSLR; the root mean square error (RMSE) is 0.480 7, and using MSLR with the logarithm of the reflectance reciprocal and the reflectance first derivative as the independent variable, have better fitting degree than that of PLS, the RMSE are 0.333 5 and 0.348 8 respectively. Use MSLR with the logarithm of the spectral reflectance reciprocal as the independent variable to establish the maize LAI model, the fitting degree is better in the three canopy hyperspectral data of spring maize of the two regression algorithm.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1489 (2017)
  • OUYANG Ai-guo, WU Ming-ming, WANG Hai-yang, and LIU Yan-de

    It is of great importance to detect soluble solids content (SSC) of online testing in hybrid “Skiranui Tangerine” citrus by using near-infrared diffuse transmittance spectra. In order to lay a good foundation for accurate and rapid online classification, this study focuses on the influence of variable methods on soluble solids content in hybrid “Skiranui Tangerine” citrus. We selected the random shape hybrid “Skiranui Tangerine” citrus with segments inside as the research object. In spectral range of 560~930 nm, the calibration models were developed based on partial least squares (PLS) in this experiment. Firstly, different pretreatment methods such as Savitzky-Golay, the first derivative and so on were compared with PLS Modeling results. Then moving window partial least squares (MWPLS), genetic algorithm (GA) and successive projections algorithm (SPA) were employed to improve the predictive models. After comparing the results, light scattering can be effectively eliminated by the multiplicative scatter correction (MSC). Moreover, fewer variables and model optimization were carried out with GA. The best calibration model obtained with GA-PLS method had the correlation coefficient of prediction (RP) of 0.956, the root mean square errors of prediction (RMSEP) of 0.380, the correlation coefficient of calibration (RC) of 0.967 and the root mean square errors of calibration (RMSEC) of 0.340. The experiment showed that online detection of SSC of “Skiranui Tangerine” is completely feasible.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1497 (2017)
  • WANG Jie, HUANG Chun-lin, WANG Jian, CAO Yong-pan, and HAO Xiao-hua

    Snow grain sizes retrieval accuracy was affected by many factors wile snow shape was an important factor. Asymptotic radiative transfer (ART) model used a digital simulation and asymptotic technology to simplify radiative transfer models, which was widely used to reverse snow grain. ART model considered two snow shape parameters, which depended on the snow grain shape and asymmetry (considering 3.62 for fractal particles; and 4.53 for spheres particles). In reversing snow grain processing of ART, the shape parameters were determined beforehand, but in nature snow particles might take on different shapes, and ART couldn't accurately reverse snow grain sizes with single shape parameter. In order to accurately reverse snow grain sizes, snow grain sizes and shape parameters must be obtained simultaneously. Based on ART model, a Look- Up- Table Minimal Angle model was proposed to solve the problem. The new model could obtain the shape parameter values and snow grain sizes simultaneously, solving the problem of determining shape parameter value beforehand, which determined the shape parameter values automatically. Experimental results showed that new model could accurately retrieve snow particle sizes, which were more consistent with field validation datas.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1502 (2017)
  • ZHU Yun1, SHEN Guang-rong, WANG Zi-jun, LU Shao-ming, ZHI Yue-e, and XIANG Qiao-qiao

    In this paper, the soil salt content (SSC) and the associated spectral reflectance were measured and analyzed during the microbial remediation process of saline soil. The two methods including extremums of correlation coefficients and the different ranges of correlation coefficients were used to find the optimal sensitive bands of SSC for eight spectral data sets covering the raw spectral reflectance, the smoothed spectral reflectance and six different pre-processing transformations of spectral data of saline soil. With this basis, partial least squares regression (PLSR) was used to build relational models between SSC and spectral reflectance based on full bands (400~1 650 nm) and optimal bands, respectively. The results showed that the optimal spectral bands for eight spectral data sets, concentrated on 947.11~949.31, 1 340.27, 1 394.11, 1 457.81~1 461.31, 1 537.68~1 551.39 and 1 602.32 nm. Taking the coefficient of determination (R2 ), root mean squared error (RMSE) and akaike’s information criterion(AIC) as criteria to select the best model. For the PLSR predicting models of SSC based on optimal bands from two different ways, the SGSD (LogR) obtained more robust calibration and prediction accuracies than other pre-processing inversion models. Compared with optimal bands, the full bands using PLSR method could obtain better prediction accuracies on the whole. Among all of the eight spectral data sets in full bands, the prediction accuracy of SGSD was the best, the corresponding R2 and RMSEP of the predicted model were 0.673 and 1.256. For the inversion models based on optimal bands, although there was a slight gap in the prediction accuracy with that based on full bands, they also had their own merits: these models were much simpler and thus the reducing model computation and modelling speed were more important than improving prediction accuracy. The results of this study showed that the method had a great potential for diagnosing and monitoring soil salinization quickly and conveniently in researching the relation between SSC and soil reflectance spectra.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1507 (2017)
  • CHENG Xue-li

    The photochemistry of carbonyl compounds containing β-phenyl rings has attracted increasing attention, for it is regarded as a representative template for the triplet n,π* quenching of carbonyl groups. In gas phase and in methanol, the ground states and excitation states of β-benzylacetophenone were investigated and its absorption and emission spectra were simulated. Besides, the luminescence mechanisms were also elucidated from molecular orbitals. The theoretical results revealed that: (1) Its ground-state structure in methanol is very close to the geometry in gas phase except for the bond distances around the carbonyl group; (2) In methanol, the S1 state of β-benzylacetophenone can not maintain a planar configuration, and the α C—C bond is extended significantly; (3) The absorption spectrum of β-benzylacetophenone is very weak in gas phase, but it is very strong in methanol; (4) The fluorescence spectrum of β-benzylacetophenone in gas phase is also different from that in methanol; (5) In gas phase, the strongest emission peak of the fluorescence spectrum is blue-shifted to about 228.67 nm, and its oscillator strength (f=0.306 1) increases significantly; (6) The fluorescence spectrum is an inverse process of the absorption spectrum from the viewpoint of molecular orbitals; (7) In phosphorescence spectrum, there are two relatively strong emission peaks at 252.58 and 246.04 nm in gas phase, but there is only one very strong emission peak at 258.88 nm in methanol.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1514 (2017)
  • YANG Cheng-hu, LIU Yang-zhi, ZHU Ya-xian, and ZHANG Yong

    The fluorescence quenching method using laser-induced nanosecond time-resolved fluorescence (LITRF) combined with parallel factor (PARAFAC) analysis was developed for in situ investigation of the interactions of two typical polycyclic aromatic hydrocarbons (PAHs), pyrene (Pyr) and phenanthrene (Phe) either singly or in a mixture with Aldrich humic acid (HA). The concentration of free Pyr and Phe cannot be determined directly at the same time because the LITRF spectra of Pyr, Phe and HA are overlapping at the excitation wavelength of 266 nm. The fluorescent interference of HA can be eliminated quickly and effectively, while the fluorescence intensity and fluorescence decay curves of Pyr and Phe can be acquired by LITRF-PARAFAC analysis. The binding characteristics of PAHs with HA were described with Freundlich isothermal model. Nonlinear binding (n<1) and competitive sorption of Pyr and Phe on HA were verified, which showed that the linearity increased (n tend to be 1) and the single point binding coefficient decreased after the addition of Pyr or Phe. The degree of competition was depended on the concentrations of cosolutes, and competition was much stronger in the case of relatively high competitor concentrations. In addition, the results indicated that the binding characteristics of single component Pyr and Phe with HA obtained with LITRF-PARAFAC quenching method were in accordance with conventional fluorescence quenching method. The quenching mechanism for Pyr and Phe by HA was primarily static quenching which was also verified by quenching rate constant and fluorescence lifetime analyses. The LITRF-PARAFAC quenching method could be used for in situ investigate the interactions between mixture of PAHs and HA, which could be applied to predict and evaluate the environmental behavior and ecological risk of PAHs in real time.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1519 (2017)
  • WANG Yuan-yuan, ZHAO Nan-jing, MA Ming-jun, YU Yang, MENG De-shuo, GU Yan-hong, JIA Yao, LIU Jian-guo, and LIU Wen-qing

    According to the need of heavy metal pollution detection in waste water. Pure graphite flake is selected as matrix material, the LIBS method of multiple enrichment of samples combined with spatial confinement is adopted to detect the heavy metals contained in the waste water, and spectral stability and limit of detection of Pb, Cu, Cd and Ni are also analyzed. The experiments uses a wavelength of 1 064 nm Nd∶YAG Laser, and a optical spectrometer, which the resolution is less than 0.1 nm to detect the characteristic spectrum of heavy metal elements content in water. The result shows that this method serves to improve sensitivity and spectral stability of heavy metal in waste water while reducing the limit of detection of heavy metals. The intensity of characteristic spectrum are about 2.5 times better than it under the condition of non-confinement, the spectral stability has also been improved, RSD is reduced from 11.34% to 8.77% compared with non-confinement condition. The calibration curves of four heavy metal elements have been established, the limits of detection of Pb, Cu, Cd and Ni are lower than 1/6 of discharge standard of national industrial waste water, meeting the demand of heavy metal in industrial waste water online monitoring. This method provides a convincing support for discharge control and online monitoring of warning excessive discharge of heavy metal elements in industrial waste water.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1525 (2017)
  • MA Shuang-shuang, MA Qiu-lin, HAN Lu-jia, and HUANG Guang-qun

    In order to enhance the efficiency and safety of manure resource utilization, a rapid quantitative analysis of calcuim (Ca) content in manure is of great significance. In the presented study, the application of laser-induced breakdown spectroscopy (LIBS) technique was used to quantitatively analyze Ca content in manure. Genetic algorithm (GA) was also applied to the LIBS to optimize the model. The dominant factors of LIBS were set: 80 collection dots with 15% laser energy, 400 μm spot size, delay time of 1.0 μs, and preforming pressure at 20 tons (T).The modeling results showed that the initial linear model constructed from the characteristic wavebands of Ca presented low precision and accuracy, partial least squares (PLS) models with wavebands at 190~950 nm exhibited the effects with coefficient of determination for the validation set (R2v) and relative prediction deviation (RPD) of 0.85 and 2.13, respectively. The PLS model considered 12 variables, which were selected with GA in the waveband at 190~950 nm, and presented the R2v and RPD of 0.90 and 3.04, respectively. They had presented relatively better results by avoiding complicated sample processing. It is pertinent to note that the efficiency of this method increased by a large margin when the variables were selected based on GA analysis. The results showed that LIBS combined with GA can be used for quantitative analysis of Ca in manure.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1530 (2017)
  • ZHANG Wen-li, LONG Ping, WU Jian, CHEN Xiu-min, XIONG Heng, and YANG Bin

    Sulfur dioxide is the main air pollutant. It is directly related to the formation of haze. Flue is gas desulfurization. The primary measure of protecting the environment and reducing haze. Phosphate ore pulp flue gas desulfurization is a new desulfurization method in which desulfurization agent is phosphate ore pulp. The concentration of sulfur in solid and solution (phosphate rock, desulfurization liquid of phosphate rock and desulfurization slag) of phosphate ore pulp flue gas desulfurization agent were determined with Inductively Coupled Plasma Atomic Emission Spectrometry (ICP-AES). By choosing a more sensitive analytical line of sulfur, the effects of operating conditions of the ICP spectrometer on the analysis results were investigated, at the same time, the sample preparation methods and coexisting ions which impact on determination results of sulfur was also considered. Phosphate rock, desulfurization liquid of phosphate rock and desulfurization slag were treated in three different ways to make sure the sample dissolved completely. 181.973 nm spectral line was chose as analytical line to avoid spectral interference of coexisting element. The incident power of 1 300 W, with observation height of 12 mm, the nebulizer gas flow of 0.65 L·min-1 and the pump flow rate of 1.5 mL·min-1 were selected. Under the optimum analytical conditions of spectrometer, the method was used for the determination of sulfur in phosphate rock, desulfurization liquid of phosphate rock and desulfurization slag with the detection limit of 0.000 38%, recoveries between 89.5% and 104.5%, and relative standard deviation (RSD≤2.30%). By comparing the results of barium sulfate gravimetric method, the findings were basically consistent with the relative deviation ≤3.88%. In conclusion, the method is simple and efficient, with high precision and accuracy, which can be used for research and routine production in phosphate ore pulp flue gas desulfurization.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1535 (2017)
  • ZHANG Mao-lin, WANG Li-hua, LI Qi-jiang, and WU Jun-ming

    Among the five famous kilns of the Song Dynasty, Ding kiln is the only one famous for white porcelain production, whose superb technique processes such as engraved designs and original upside down firing, had a profound influence on many kilns home and abroad. Nondestructive Energy Dispersive X-Ray Fluorescence (EDXRF) analysis method was applied to analyze the chemical composition and the recipe of the Ding white porcelain from the Tang Dynasty (618—907A.D.) to the Jin Dynasty (1115—1234A.D.). The valence state of Fe in the glaze of Ding white porcelains was analyzed with X-Ray Absorption Fine Structure (XAFS) for the first time while discussing the firing technique. It was found that the bodies of Ding white porcelains were characterized as “high alumina and low silicon” of typical northern porcelains, and raw mineral materials rich in CaO was intentionally added to the bodies’ recipe in order to promote the sintering of the body. TiO2 in the bodies was generally introduced by impurity of kaoline. The glazes of Ding white porcelains were characterized as “high calcium and high magnesium”, which generally belonged to Calcium magnesium glaze or Calcium magnesium alkaline glaze. Its recipe should contained a certain content of dolomite or talc. The increasing content of K2O in the glazes reflected the transition from Calcium magnesium glaze to Calcium magnesium alkaline glaze. In addition, wood ash and kaoline should be added to the recipe of glazes according to the chemical composition characteristics of Al2O3, MnO and P2O5. The XAFS results showed that the Fe3+ proportion in the Ding white glaze of the Late Tang Dynasty and the Five Dynasties was the highest, while that of the Jin Dynasty taked the second place, followed by that of the Song Dynasty. So it implied that Ding white porcelains of successive dynasties were fired in a reducing atmosphere. The yellowish colour of Ding white porcelain in the Song and Jin Dynasties was probably caused by Fe—S compound produced in the firing process by the interaction of glaze and sulfur enriched in the fuel coal.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1540 (2017)
  • HAN Feng, WANG Ying-zhu, MA Hong-jiao, and MA Qing-lin

    The cemetery of Xinfeng is located in Xi’an City, Shanxi Province, which can be dated back to the late Warring States period through the Qin dynasty (4th—3rd centuries B. C. E) to the midterm of the Western-Han to Eastern-Han dynasty (2nd century B. C. E to first quarter of 3rd century C. E. ). More than 100 glass artifacts were unearthed from 12 tombs among 700 ones in Xinfeng cemetery including eye-beads, rings and ear pendants. Five samples covering all glass types in Xinfeng cemetery were studied with polarizing optical microscopy, scanning electron microscopy (SEM) equipped with energy dispersive X-ray analysis (EDX) and micro-Raman spectrometer. The chemical composition showed that one faience bead is with potassium-calcium-soda glaze layers and the other four lead-barium glass. Copper is the coloring agent for the blue glass, and copper allied with iron for the green ones. The red glass was colored by Fe2O3 particles and the opacity of the white glass was due to the crystals in the matrix. The two colors of the eye-bead were due to copper and iron respectively. Some technologies of lead-barium-soda glass and potash-calcium glaze eye-bead are also discussed in the text.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1546 (2017)
  • LIU Rong, QIAO Xue-jun, ZHANG Jian-nan, and DUAN Fu-qing

    With the analysis of stellar spectra, the evolution and structure of the Milky Way galaxy is studied. Spectral classification is one of the basic tasks of stellar spectral analysis. In this paper, a method of MK classification based on non parametric regression and Adaboost for stellar spectra is proposed, and the stars are classified according to the luminosity type, spectral type as well as the spectral subtype. The spectral type of the stellar spectrum and its sub type represent the effective temperature of the star, while the luminosity type represents the luminous intensity of the star. In the same spectral type, the luminosity type reflects the variation of the shape details of the spectral line, so the classification of the photometric type must be based on the spectral type classification. The spectral type classification is transformed as a regression problem of class label, and the type and subtype of the stellar spectra are recognized with non parametric regression method. The luminosity type of the stellar spectra is recognized using Adaboost method which combines a group of K nearest neighbor classifiers. Adaboost generates a strong classifier with weighted combination of a group of weak classifiers to improve the recognition rate of the luminosity type. Experimental results validate the proposed method. The accuracy of spectral subtype recognition is up to 0.22, and the correct rate of the luminosity type classification is 84% above. Two KNN methods are compared with Adaboost method on luminosity recognition. The results show that the recognition rate can be greatly enhanced with the Adaboost method and using KNN.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1553 (2017)
  • QIAN Hong-hu, YE Qing-hao, MENG Bing-huan, HONG Jin, YUAN Yin-lin, QIU Zhen-wei, and LI Shuang

    The measurement accuracy is an important technical index of the Spaceborne Directional Polarimetric Camera which achieves multiangle polarimetric information in target detection. In order to research the elements affecting the measurement accuracy of the instrument, the polarized radiometric theoretical model of every single pixel of the instrument which contains parameters representing physical concept clearly is established in steps by using mathematical description called Stokes-Muller and analyzing characteristics of the instrumental optical structure. The theoretical measurement errors of Degree of Linear Polarization on a single pixel, introduced by some important parameter deviations of all the components in the instrument, is calculated and analyzed. The results shows that there might exsit proportional relationship between the theoretical measurement errors of Degree of Linear Polarization and the deviation of the relative transmission of the channels, the deviation of the high frequency part of the spatial variation of the transmission mainly due to the inter-pixel sensitivity variation, the deviation of the orientation of the polarizer, the deviation of the polarization rate of the optics. When the deviations of the parameters exist, the theoretical measurement errors of Degree of Linear Polarization affected by the different kinds of incident light are acquired. According to the measurement accuracy of the instrument, the tolerances of the parameters are proposed for the most sensitive kinds of incident lights by the way of equal distribution of the errors. The study provides a theoretical basis and practical guidance for the development, calibration and data post-processing of the Directional Polarimetric Camera.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1558 (2017)
  • SUN Shou-qiang, GU Mu, CHEN Ting-ting, ZHANG Juan-nan, LIU Xiao-lin, LIU Bo, HUANG Shi-ming, and NI Chen

    The pixelated CuI scintillation conversion screens which have a monodisperse micro-columnar structure were fabricated with pressure-injection method using the high-purity CuI powder and oxidized silicon micropore arrays. The results of scanning electron microscopy and X-ray diffraction show that CuI micro-columns are continuous and dense with the crystal lattice of (-phases. Their diameters, spaces and depths are about 2.5, 1.5 and 80 μm, respectively. X-ray excited luminescence (XEL) reveals that the as-prepared γ-CuI scintillation screens have an emission band near 680 nm, which has a comparatively slow decay time. After iodine-doping especially at the content of 10 Wt%, the emission band near 680 nm is effectively suppressed with an emission peak at 432 nm, which has an ultra-fast decay time. The spatial resolution of the pixelated γ-CuI scintillation conversion screens was measured with knife-edge method. The result shows that the resolution can reach to 38 lp·mm-1, which indicate that the pixelated γ-CuI scintillation screens have excellent spatial resolution with ultra-fast time response and it possess a unique value in X-ray imaging.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1566 (2017)
  • CUI Han, WANG Yun, QIU Li-rong, ZHAO Wei-qian, and ZHU Ke

    With the increasing interest in nano microscopic area, such as DNA sequencing, micro structure detection of molecular nano devices, a higher requirement for the spatial resolution of Raman spectroscopy is demanded. However, because of the weak Raman signal, the pinhole size of confocal Raman microscopy is usually a few hundreds microns to ensure a relatively higher spectrum throughput, but the large pinhole size limits the improvements of spatial resolution of confoal Raman spectroscopy. As a result, the convential confocal Raman spectroscopy has been unable to meet the needs of science development. Therefore, a confocal Raman image method with Maximum Likelihood image restoration algorithm based on the convential confocal Raman microscope is propose. This method combines super-resolution image restoration technology and confocal Raman microscopy to realize super-resolution imaging, by using Maximum Likelihood image restoration algorithm based on Poisson-Markov model to conduct image restoration processing on the Raman image, and the high frequency information of the image is recovered, and then the spatial resolution of Raman image is improved and the super-resolution image is realized. Simulation analyses and experimental results indicate that the proposed confocal Raman image method with Maximum Likelihood image restoration algorithm can improve the spatial resolution to 200 nm without losing any Raman spectral signal under the same condition with convential confocal Raman microscopy, moreover it has strong noise suppression capability. In conclusion, the method can provide a new approach for material science, life sciences, biomedicine and other frontiers areas. This method is an effective confocal Raman image method with high spatial resolution.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1571 (2017)
  • JIANG Ying, ZHANG Chong-zhen, LIANG Da-kai, and LU Ji-yun

    Sensitivity is one of the important performances for sensor. Without increasing system complexity, this paper studied the influence of self-performance and polarization maintaining fiber(PMF) length on the axial strain sensitivity of polarization maintaining loop mirror(PM-FLM)based on the theoretical model of PM-FLM by numerical simulation and experiments. The results show that we can choose a long wavelength point as a monitoring point to optimize the axial strain sensitivity for the same PM-FLM, a high strain dependent birefringence coefficient PMF to optimize the axial strain sensitivity for the PM-FLM with the same birefringence, a low birefringence PMF to optimize the axial strain sensitivity for the PM-FLM with the same strain dependent birefringence coefficient and the axial strain sensitivity is unrelated to PMF length.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1576 (2017)
  • QU Li-li, WANG Hai-shui, and ZENG Qiang

    In order to compensate for solvent bands and other background effects, a successful infrared (IR) spectral measurement requires a quality single-beam background spectrum with a desired intensity. Usually, it is extremely difficult to bring a background component to the desired intensity in practice. In order to achieve this important but difficult goal, a hybrid single-beam spectrum α=αb1+(1-α)b2 is introduced as the combination of two single-beam spectra b1 and b2 from the same sample but with different pathlengths (b1 and b2), where α (0≤α≤1) is the component factor. Obviously, the intensity of the hybrid spectrum α can be controlled easily to the desired point by simply choosing an appropriate component factor. Under appropriate conditions, the hybrid spectrum α is very nearly identical to the single-beam spectrum obtained from the real sample with the pathlength of b2-αb2+αb1 and the minor spectral distortion of α can be dismissed. As a result, the single-beam spectrum of a real sample b with a pathlength of b2-αb2+αb1 can be represented by α and the real sample does not need to be prepared. Experimentally, the hybrid single-beam spectrum provides a very simple, robust and efficient method to overcome the interference from background samples of IR measurements and shows valuable potential in applications of this field.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1581 (2017)
  • LIANG Chen, ZHAO Zhong, CAO Yu-ting, and YUAN Hong-fu

    Although, near-infrared (NIR) has been successfully applied to rapid and non-destructive analysis in various fields, however the problem that calibration model developed on one instrument can’t be directly applied to other instruments in many cases has not been solved yet. To achieve calibration model transfer between different types of instruments (master instrument: SupNIR-2700, slave instrument: Nicolet AntarisⅡ) and the model transfer between the spectra of different resolutions measured on one instrument (Nicolet AntarisⅡ), an improved calibration model transfer method is proposed in this work, being referred as SP-SG1st-PDS method. In terms of the proposed method, firstly, a fitting slave spectrum is constructed with cubic spline interpolation without destroying the information on the original slave spectrum. Then, Savitaky-Golay (first order derivative) smoothingis applied to remove the baseline drift between the master and slave spectra. Finally, PDS is applied to the model transfer to remove most of the differences between the master and slave spectra. SP-SG1st-PDS method has been applied to predict the content of vinyl acetate (VAC) in ethylene-vinyl acetate copolymer (EVA). Comparative studies of the proposed model transfer technique, the wavelet de-noising method (SP-WT-PDS) and the S-G smoothing method (SP-SG-PDS) have also been accomplished. As for the model transfer between different types of instrument, comparative experiment results have shown thatthe root-mean-square error of prediction (RMSEP) with the proposed SP-SG1st-PDS method reduced from 15.978 2 to 0.239 0 and much smaller than that with SP-SG-PDSmethod (0.549 0) and that with SP-WT-PDSmethod (0.528 8). Meanwhile, the bias of prediction was improved obviously after the model transfer with the proposed method. For the model transfer between the spectra at different resolutions measured on one instrument, the comparative experiment results have shown that the model prediction accuracy can be improved significantly, accompanied by the reduction in RMSEP from 0.475 1 to 0.194 5. With the proposed SP-SG1st-PDS method, the calibration model transfer can be applied to different types of instruments and different resolutions of spectra measured on the same instrument.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1587 (2017)
  • WAN Ying, HE Jiu-yang, MA Yuan-yuan, ZHOU Zhi-xuan, Taximaiti·Yusufu, and Aierken·Sidike

    The blue phosphors designed as BaAl2Si2O8∶Tb3+, Ce3+ were prepared with high temperature solid-state reaction. The luminescence properties and mechanism of Tb3+, Ce3+, Tb3+ and Ce3+ Co-doped samples were discussed. Energy transfer between Ce3+ and Tb3+ in the sample was analyzed. The samples were tested with XRD, fluorescence spectra, color coordinates and so on. The results have shown that a small number of Tb3+, Ce3+ ions doping fail to change the crystal structure of BaAl2Si2O8. BaAl2Si2O8∶Tb3+ shows bright green. Emission spectra are the narrow-band spectral lines composed by peak-to-peak value of 487, 545, 583 and 621 nm, which are the typical emission peak generated due to 5D4→7FJ(J=6, 5, 4, 3) transition of Tb3+ ions. The incorporation of Ce3+ not only makes the excitation spectra of BaAl2Si2O8∶Tb3+ from the narrow band excitation to broadband excitation increases the spectral band diversity. The luminous intensity has obvious enhancement, and the color also has some coordination, which makes it more flexible in practical application. The reason for the enhancement of luminescence intensity is not only because of the sensitization of Ce3+ ions, but also due to the energy transfer between Tb3+ and Ce3+. The critical distance of energy transfer has been calculated with the concentration quenching method, which is 153.45 nm. The energy transfer mechanism is ascribed to the dipole-dipole interaction. When the Tb3+ion concentration was increased to 0.07 the transfer efficiency increased to 76.04%.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1595 (2017)
  • LIU Shi-wei, LIU Zhen, TIAN Quan-hui, and ZHU Ming

    Traditional principal component analysis (PCA) keep the similar shape of original spectral reflectance and reconstructing spectral reflectance as far as possible through mathematical method. But traditional dimension-reduction algorithm of PCA calculates and processes the spectral data each wavelength with equal weighted, while the sensitivity of human vision is different at different wavelength. It would result in that the spectral errors of reconstruction are small but the color differences of reconstruction color are large by human perception. In order to control the spectral error and reduce the chromatic difference between the original spectral and reconstructed spectral, this paper presents two kinds of human-vision-weighted function to optimize the traditional PCA, and using spectral residual error to compensate dimension-reduction model. With the experiment of training samples of Munsell color, and testing samples of multispectral image (young girl) and part of Munsell color, we reduced and reconstructed the spectral color and spectral image with our proposed-function-PCA, and compared with the other methods mentioned by related articles. The experimental results indicate that the performance of our methods improve the chromatic precision and stability in the different lighting resource.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1601 (2017)
  • Wang Jingrong, Zhang Zhuoyong, Yang Yuping, Xiang Yuhong, and Peter de B. Harrington

    Terahertz time domain spectroscopy (THz-TDS) combined with principal component analysis-linear discriminant analysis (PCA-LDA) and support vector machine (SVM) was used for identification of official rhubarb samples. Terahertz time domain transmittance spectra of 41 official and unofficial rhubarb samples were measured in time domain and then were transformed to absorption coefficients in frequency domain. Qualitative classification models of PCA-LDA and SVM were established based on the absorption coefficients and cross validated for identifying official and unofficial rhubarb samples. The predictive ability and stability of the models were evaluated using bootstrapped Latin-partitions method with 50 bootstraps and 4 Latin-partitions. Satisfactory results were obtained by using both PCA-LDA and SVM. The proposed method proved to be a convenient, non-polluting, accurate, and non-chemical treatment approach for identifying rhubarb samples. The developed procedure can be easily implemented for quality control in other herbal medicine classification and production.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1606 (2017)
  • QIU Lu, ZHAO Yi, YANG Sheng-jie, LIAO Chang-hong, YU Cheng-min, REN Zhong-hua, ZHANG Ye-pin, GAO Shun-yu, WANG Zhen-ji, and YANG Hai-yan

    In this study, with Fourier transform infrared (FTIR) spectroscopy, the structure and content of biological macromolecules in epithelial pleural mesothelioma, fibrous pleural mesothelioma, tuberculous pleurisy, and normal pleural tissue is analyzed. It is found that the FTIR spectra of these four kinds of pleural tissue are similar; however, there are some obvious differences. There is a significant difference in the infrared spectral data between the four pleural tissues (p0.05), peak intensity related to lipid content at 2 922 and 2 854 cm-1 is notably higher than that in normal pleural tissue (p<0.01) and pleural mesothelioma (p<0.05). (2) The relative peak intensity of proteins, nucleic acids, lipids I1 641/I2 922, I1 641/I1 232, I1 232/I1 078, I1 078/I1 546, I1 078/I2 854, I2 922/I1 232, I1 458/I1 400 can effectively enlarge the differences between the four types of pleural tissue, which has better effect than peak intensity; it can be used as an optimization index for diagnosis of pleural mesothelioma. (3) Peak intensity at 1 078 cm-1 of nucleic acid molecule phosphodiester bond C—C/C—O in epithelial pleural mesothelioma and peak intensity at 2 854 cm-1 of lipid are significantly lower than that of fibrous pleural mesothelioma and normal pleural tissue (p<0.05), which shows that the phosphodiester bond of epithelial pleural mesothelioma is seriously fractured, DNA damage is serious, and membrane lipid peroxidation is significant. This indicates that the epithelial pleural mesothelioma deteriorates more seriously than fibrous pleural mesothelioma. (4) FTIR can effectively distinguish fibrous pleural mesothelioma, epithelial pleural mesothelioma, tuberculous pleurisy and normal pleural tissue, and it provides reliable data for the early and rapid diagnosis of pleural mesothelioma and tuberculous pleurisy.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1612 (2017)
  • XIONG Xian-qing, QIAN Shao-ping, SHENG Kui-chuan, HE Yong, FANG Lu, and WU Zhi-hui

    Utilization of agricultural residues as compacted fuels (in pellet or briquette form) for both domestic furnace and industrial boiler is more and more promising. Gross calorific value (GCV) is an important performance for biomass as a solid fuel, indicating the useful energy content of biomass. Measurement of gross calorific value using oxygen bomb calorimeter is time consuming. Thus, it is necessary to develop a fast and accurate method to evaluate the GCV of raw biomass residues. This is conducive to control the quality of feedstock for biomass pellets production. In this study, different GCV predicting models for multiple agricultural residues were proposed and analyzed, and optimal modeling and statistical methods for the GCV prediction of 5 crop residues viz. rice straw, wheat straw, corn stalk, rape stalk and cotton stalk were developed. Multiple linear regression (MLR), stepwise regression analysis (SWR), back propagation artificial neural networks (BPNN) models were proposed to predict the GCV from proximate and/or ultimate analysis of 5 crop feedstock. The best coefficients of determination of R2, root mean square error of predict (RMSEP), and the ratio of standard error of prediction to standard deviation of the reference data (RPD) of 0.921 1, 0.135 1 and 3.49 were obtained, respectively, when corresponding variables were introduced to MLR models. Additionally, GCV models developed based on visible-near infrared spectroscopy (Vis-NIR) also showed the highest R2 and RMSEP values of 0.881 2 and 0.412 9, respectively, when partial least squares regression (PLR) was used. This study demonstrates that MLR model and PLR model can be used to estimate the GCV of agricultural feedstock from proximate analysis, ultimate analysis and Vis-NIR technology.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1622 (2017)
  • TIAN Meng-jing, MA Xiao-ling, JIA Jia, QIAO Yu, WU Ting-yan, LI He-xiang, and LIU Ying

    Human can be exposured to arsenic (As) through the air, drinking water and food and so on. In this paper, the total As concentration of 69 hair samples of local residents living in Hequ (HQ), Shizuishan (SZS), Zhongwei (ZW) and Linxia (LX) and 4 filtered water samples of Yellow River were analyzed by inductively coupled plasma mass spectrometry (ICP-MS). Differences of hair arsenic levels in different gender and age groups and the correlations of As level between hair and water were studied. Hair samples were pretreated by microwave digestion with a satisfactory result. The recoveries and RSD of the method were 90.1%~101.9% and 2.9%~4.2%, respectively. The results showed that hair As concentration ranged for 0.01~1.73 μg·g-1 with an average of 0.33 μg·g-1, followed the sequence of ZW>HQ>LX>SZS. Kruskal Wallis test showed statistical difference (p=0.010) among concentrations of As in hair from the different sampling sites, this indicated that the living area had an effect on the content of As in the residents’ hair. There was no significant difference observed among different gender (p=0.158) and age (p=0.159) groups, but relatively high level of As concentration in hair for males was observed, while the mean concentrations of different age groups showed an age-dependent decrease. Compared with the literatures, the As concentration level of hair in this study was higher than that in most areas, but obviously lower than that in the arsenic-endemic region. The As level in the water of the Yellow River ranged for 2.31~10.41 μg·L-1, which was higher than that of the lower reaches of the Yellow River, but didn’t exceed the surface water environmental quality standard. Pearson correlation coefficients showed that As concentrations in water samples had correlations with Pb, Cu, Cr and Cd and had significant positive correlation with As concentrations in hair samples. In conclusion, the residents living near the sampling sites were at relatively high risk of As exposure, which may mainly derive from industrial and agricultural emissions. This paper could provide experimental data and theoretical basis for As pollution in northwest region such as Gan-Ning-Meng area of China.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1628 (2017)
  • JIA Shi-qiang, LI Hao-chuan, AN Dong, and LIU Zong-hua

    Accurate division of heterotic group in maize can provide effective information on germplasm improvement, heterosis mode construction, and development of new varieties. The main methods used at present to divide maize heterotic group are pedigree, combining ability test, isozyme markers, and molecular markers. These methods are inferior because of their high cost and operational complexity. Some of them even have to destroy the seeds. This study explored novel method feasibility of near infrared (NIR) spectroscopy in quick nondestructive heterotic grouping of maize. The near infrared diffuse reflection spectra of maize seeds were collected and preprocessed using smoothing, first derivative, and vector normalization. The features of these spectra were extracted through principal component analysis (PCA). Twelve Chinese maize inbred line samples were selected, including six leading inbred lines (Part A) and six excellent self-selection lines (Part B). Part A was divided into three groups with NIR spectroscopy, namely, A1 (Zheng58) and A2 (Ye478), A3 (Chang7-2) and A4 (Huangzaosi), and A5 (Mo17) and A6 (SiF1). This division was in accordance with pedigree analysis. Part B was also divided into three groups by NIR spectroscopy: B1 and B2, B3 and B4, as well as B5 and B6. This division conforms to clustering analysis based on SSR molecular marker. These processes confirm that NIR spectroscopy is a convenient, highly efficient, and feasible heterotic grouping method of maize.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1634 (2017)
  • XIE Ying-ke, WEN Qun, WEN Zhi-yu, MO Zhi-hong, and WEI Kang-lin

    This paper presents a system for on-line determination of chemical oxygen demand (COD) and total phosphorus (TP) in water by using Fenton reagents via a micro-spectrometer. The system uses Fenton reagents with ultrasonic-assisted to realize on-line digestion of organic compounds and organic phosphorus compounds in water samples under normal temperature and normal pressure, and uses a micro-spectrometer to realize multi-wavelength spectrophotometric detection. The results show that the system realize less measuring time, lower power consumption, simpler system structure and less secondary pollution. Moreover, the results show that the relative error is ≤10%, the limit of detection (LOD) are 2 mg·L-1 COD and 0.008 mg·L-1 TP, respectively, the sensitivities are 0.021 3 COD and 0.452 6 TP, respectively, and the precision is around 5.6% RSD at 15.0 mg·L-1 COD (n=7) and 5.8% RSD at 0.010 mg·L-1 TP (n=7). In addition, there are not significantly difference between the Chinese national standard analysis methods and the methods used in proposed system.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1642 (2017)
  • WANG Fei, WANG Ji-ning, CAO Wen-tao, KANG Ri-fei, CAO Jian-fei, and WU Quan-yuan

    Heavy metal contamination has been rising markedly in mining area and a rapid and accurate assessment technique is of utmost importance. In this study, visible and near-infrared spectra combined with partial least square regression (PLSR) are developed to achieve the rapid monitoring of Cr in soilsfrom Jiaojia-type gold mines. A total of eighty five soil samples were collected to measure the spectra on the spot, thirty five of which were used for chemical analysis. PLSR models were established using primitive spectra (R) and first derivative (RD1), second derivative (RD2) and continuum removal (CR) data to find the most suitable calibration. The best predictive model that used RD1 spectra was applied to determine the contents of Cr in the untested samples and the spatial distribution map was created by universal kriging interpolation. Results illustrated that the major abundance of Cr was concentrated in the range of 36~48 mg·kg-1, with the highest value being 71.8 mg·kg-1 and lowest being 20.9 mg·kg-1. Furthermore, elevation and the orefield showed prominent impacts on the content values of Cr. Generally plain and the areas closed to gold mines tend to have higher concentrations of Cr.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1649 (2017)
  • LIU Qian, CHEN Wen-juan, JING Bo, ZHANG Jian, YANG Meng-ying, CHEN Wu, and YIN Xian-qing

    Electrochemistry is an efficient, fast and green method for the COD removal of sewage. The electrochemical treatment process of sewage containing polymer in an oilfield produces some reactive intermediates such as H2O2 which can remove COD by indirect oxidation. It is very difficult to detect accurately and quantitatively with general methods because of the trace H2O2 in the process of electrochemistry. Thus, we need a method of high-sensitivity to measure the amount of H2O2 to guide the control process of electrochemical treatment; Ti and 5-Br-PADAP with H2O2 can form a stable colored ternary complex at pH 1~1.5, and there is an obvious absorption peak of this ternary color system at about 561 nm. Within the range of 02~10 μmol·L-1 H2O2 and sticking to Beer-Lambert Law, a method of spectrophotometry can be established for determination of trace reactive intermediates about H2O2 in the process of electrochemical treatment of sewage. The UV spectra of 5-Br-PADAP(B), binary complexes Ti(Ⅳ)-B and ternary complexes of Ti(Ⅳ)-B-H2O2 is studied and the determination method of trace H2O2 is proposed in this paper. Here are innovations of this paper: The factors of influencing the formation and stability of ternary complex system of Ti(Ⅳ)-B-H2O2 are the order of adding reagents, pH, the amount of anhydrous ethanol, heating temperature and time and the ratio and amount of Ti(Ⅳ)-B with UV spectroscopy. The experimental conditions for the accurate detection and quantification of trace H2O2 are obtained: pH 1.0~1.5, 50% of ethanol, heated in water bath at 50 ℃ about 20min, Ti(Ⅳ) and B solution mixed at the equal molar ratio, The order of adding reagents: 2 mL of various concentrations of these standards H2O2 solution, 3 mL of anhydrous alcohol, 1 mL of 0.32 mol·L-1 HCL, 2 mL of pH 1.5 HCl-KCl buffer solution, 2 mL of Ti(Ⅳ)-B solution to a 10 mL volumetric flask, and dilute with 0.32 mol·L-1 HCL solution to the mark line of volume. The method is easy, rapid, reproducible, cheap and high sensitive, and it obtains satisfying results in practical applications.

    Jan. 01, 1900
  • Vol. 37 Issue 5 1656 (2017)
  • Jan. 01, 1900
  • Vol. 37 Issue 5 1 (2017)
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