In the present work,a simply designed and easy made micrometer plasma jet device operating under atmospheric pressure was characterized.The microplasma jet operates in many kinds of working gas at atmospheric pressure,such as Ar,He,N2 etc,and is powered by a direct current power source.It can generate high current density glow discharge.In order to identify various excited species generated by the direct current microplasma jet device,the optical emission spectra of the jet with argon or nitrogen as working gas were studied.Based on the optical emission spectroscopy analysis of argon microplasma jet,the electron excitation temperature was determined to be about 3 000 K by the intensity ratio of two spectral lines.It is much lower than the electron excitation temperature of atmospheric pressure plasma torch,and hints that the atmospheric pressure direct current microplasma jet is cold compared with the atmospheric pressure plasma torch.The emission spectra of the N2 second positive band system were used to determine the vibrational temperature of the atmospheric pressure direct current microplasma jet.The experimental result shows that the molecular vibrational temperature of N2 is about 2 500 K.The electron density of the microplasma jet is about 1013 cm-3,which can be estimated from the electrical parameters of the discharge in the microplasma jet.A simple example of application of the microplasma jet is given.General print paper surface was modified with the microplasma jet and afterwards a droplet test was carried out.It was shown that the microplasma jet is more efficient in changing the hydrophilicity of general print paper.

In the present paper,the authors aimed to detect the binding of monoclonal antibody and polyclonal antibodies in sera of patients with recombinant house dust mite allergen (rDer p2) by surface plasmon resonance (SPR) technique.This technique is superior to other methods,like enzyme-linked immunosorbent assays (ELISAs) in studying the interaction between biomolecules because no labeling and sample separation are needed.The allergen rDer p2 was immobilized on carboxymethyldextran-modified sensor chip surface by amine coupling.Surface plasmon resonance measurements of monoclonal antibody and polyclonal antibodies in patients’ sera revealed that their bindings diverge widely;the binding of patients’ sera was remarkably lower than that of monoclonal antibody.At the same time,the binding of patients’ sera with rDer p2 varied among patients allergic to dust mite.This study could provide an easy,fast and real-time way for clinical allergic diseases diagnosis.

In the present study,a device of water electrodes was used to get different discharge modes in air and Ar respectively,including stochastic filament mode,hexagon pattern mode and homogeneous diffusion mode.By comparing the waveforms of light emission and current for the three different modes,the relationship between the waveforms of light emission and current in dielectric barrier discharge was investigated.Research results show that the waveforms of light emission and current are similar when the discharge signal is very strong.However,the discharge current signal can not be discerned from the displacement current when the discharge current is very weak,because the current signal includes discharge current and displacement current.Under this circumstance,discharge dynamics can be investigated by studying the waveform of light emission.In addition,the light emission signal of single filament was obtained because spatial resolved measurement can be easily realized for the light emission signal measurement.Consequently,the research results indicate that it is a good method to investigate the discharge dynamics by analyzing the waveform of light emission in dielectric barrier discharge.

Assembly system with MCM-41 doped with Yb3+ as a host,and Tb(aspirin)3phen,which had been heat treated,as an active optical guest,was synthesized at room temperature.The structure and physical properties of the composites were characterized by a combination of different techniques such as XRD,N2 adsorption-desorption and IR,while the photoluminescence properties of the composites were analyzed by PL.Excitation and emission spectra were examined to explore the PL properties of the prepared samples and the relationship between the optical guest and the inorganic host.The present paper reports a new synthesis method called “Direct-Calcination” to avoid the loss of rare earth ions in the process of synthesis.Strong reflections at 2θ=2.6 attributed to (100) reflection were presented in XRD patterns of both Yb/MCM-41 and Tb(aspirin)3phen-Yb/MCM-41,which always can be observed for regular,spherical structure of MCM-41 materials,and the inorganic framework order increased after Tb(aspirin)3phen being incorporated into the channels of Yb/MCM-41.The intensity of the band at 963 cm-1 decreased in IR spectrum of Yb/MCM-41,relative to that in IR spectrum of MCM-41,implying that Yb3+ had been banded with the framwork.And a sharp band at 1 384 cm-1 in IR spectrum of Tb(aspirin)3phen-Yb/MCM-41 also gives the characteristic information about the bands in Tb(aspirin)3phen-MCM-41.The results from the characterization of PL show that the wide excitation band over 240-375 nm of Tb(aspirin)3phen is assigned to the carbonyl group n→π transition absorption,benzene ring π→π transition absorption of aspirin,and phenanthrene absorption of phen.The luminescence intensity of Tb(aspirin)3phen incorporated into the channels of MCM-41 can be enhanced by heat treating in the synthesis process of Tb(aspirin)3phen,while the intensity also can further increases by doping Yb3+ in the silicon framework of MCM-41.The luminescence intensity of the assembly system gets to maximum when Yb/Si ratio is 7.579×10-3.

In the present paper,ZnS:Ag nanoparticles were prepared with simple chemicals by hydrothermal method.XRD patterns indicated that the products have cubic zinc blende crystal structure.The particle diameters were calculated using the Scherer’s formula,and the particle size showed a nonlinear increase with the rise of reaction temperature.TEM images demonstrated the approximate sphere shapes of products,and the crystal sizes approached the estimated ones respectively.The luminescence properties were investigated with PL and PLE spectra.Emission peaks were at about 450 nm.This emission was ascribed to the recombination between the sulfur vacancy-related electron trap donor having an energy level just below the conduction band and the Ag-related hole trap acceptor above the valence band.Excitation peaks were at about 333 nm,and the excitation was attributed to the near-band-edge absorption of ZnS matrix.The luminescence intensity was strongly influenced by the reaction temperatures and time.It increased,decreased,and then increased again with the rise of reaction temperature,and increased then decreased with the increase in reaction time.ZnS:Ag nanoparticles synthesized at 200 ℃ for 6 hours have a well luminescence intensity.

In the present paper,a quantitative linear model between a series of concentrations of E.coliO157:H7 and counts by BPCL ultra weak luminescence analyzer was built up.And the influences of four different buffers with the same pH (pH=7.4),Tris-HCl,PBS,KH2PO4-NaOH and Na2HPO4-C6H8O7,and five different chemical substances with the same mass concentration (10 g·L),NaCl,KCl,NaOH,MgCl2 and NaH2PO4 on ATP bioluminescence were compared.The results showed that Tris-HCl was a suitable buffer for dilution,since it could distinguish well between different concentrations and had the lowest background signals.And MgCl2 could intensify luminescence distinctly,while the other four chemical substances decreased luminescence,of which NaOH decreased luminescence most obviously.Moreover,ATP bioluminescence was correlated well with conventional culture methods (r=0.96),and the detection limit was 103 cells·mL-1.

The FTIR spectra of Tripterygium hypoglaucum Hutch (THH) and Celastrus orbiculatus Thunb were studied.The result shows that the two herbs have different ratio of main substance calcium oxalate and dulcitol,so their absorption frequency and form are different as well.In addition,there is an obvious difference between Celastrus orbiculatus stem and root,and both the peak forms of calcium oxalate and dulcitol in the FTIR spectra of roots are sharper and stronger than those of stems.Therefore FTIR can be a fast and reliable method to identify THH and Celastrus orbiculatus.

The adsorption of pentachlorophenol on hematite was studied through adsorption experiments and FTIR analysis.The pH adsorption isotherms of pentachlorophenol onto hematite were obtained by the static state experiments.The largest adsorption quantity occurred at about pH 6.The adsorption quantity at pH 8.5 of the isoelectric point of hematite was about 31% of the largest adsorption quantity.Fourier transform infrared (FTIR) spectroscopy was used to analyse the change of hematite before and after PCP adsorption,and the species of PCP on hematite.It was discovered that:(1) the typical peak at 565 cm-1 of the Fe—O bond in α-Fe2O3 did not change before and after adsorption,and the adsorption occurred on the surface of hematite.(2) At pH 6.0,the stretching vibration peak at 3 438 cm-1 due to the hydrogen bond formed between O—H on the surface of α-Fe2O3 and water molecules shifted to 3 417 cm-1. The bending vibration peak of H—O—H+ on the surface at 1 643 cm-1 was weakened because of complex reaction.The peak owing to Fe—OH bond was displaced from 1 050-1 100 cm-1 to 950 cm-1 with increased intensity.The C—O bond stretching vibration peak of PCP was displaced from 1 215 to 1 122 cm-1.The main interaction between PCP and hematite was static electric interaction.(3) At pH 8.5,the stretching vibration peak of the hydrogen bond formed between O—H on the surface of α-Fe2O3 and water molecules was displaced from 3 438 to 3 428 cm-1.The bending vibration peak at 1 643 cm-1 was obviously weakened because of the hydrogen bonding.The H—O—H+ bending vibration peak at 1 050-1 100 cm-1 was displaced to 947 cm-1 with obviously increased intensity,indicating that the interaction was mainly through hydrogen bond.

For modeling the nonlinear relationship existing between samples’ near infrared (NIR) spectra and their chemical or physical properties,a novel modeling method was put forward in the present paper,which builds model by combining Isomap and partial least squares (PLS).Isomap is a newly proposed nonlinear dimension reduction algorithm,and belongs to the algorithm family of manifold learning,which is a new branch of machine learning.Isomap is based on multidimensional scaling (MDS) algorithm;however,it replaces the Euclidean distance in MDS with an approximated geodesic distance,so it can effectively find out the intrinsic low dimensional structure from high dimensional data.By combining Isomap and PLS,refered to as Isomap-PLS,a novel nonlinear modeling method for NIR spectra analysis was proposed.In this method,Isomap was used to extract nonlinear information from high dimensional NIR spectra while keeping the invariance of geometric property,and then PLS was adopted to remove linear information redundancy and build a calibration model.The parameters of the Isomap,i.e.the number of the nearest neighbor k and output dimension d,can affect the performance of the method.In this paper,a grid search approach was used for parameter optimization.The Isomap-PLS modeling method was applied to two public benchmark NIR datasets,and the modeling results were compared with that of PLS.The results demonstrated that in both datasets,each model built with Isomap-PLS had a smaller rooted mean square error of cross-validation (RMSECV) than the corresponding model built with PLS.Moreover,for some properties,the RMSECV of Isomap-PLS was significantly reduced by a factor of 2-5 compared with that of PLS.It can be concluded that by taking the virtue that Isomap can reflect the intrinsic nonlinear structure of NIR spectra,Isomap-PLS can effectively model the nonlinear correlations between spectra and physicochemical properties of the samples,and so it gains more power in calibration and prediction than PLS.

The present paper constructs a new approach named local straight-line screening (LSLS) to detect Chinese proprietary medicines (CPM) containing undeclared prescription drugs (UPD).Different from traditional methods used in analysis of multicomponent spectrum,LSLS is proposed according to the characteristics of original infrared spectra of the UPD and suspected CPM,without any pattern recognition or concentration model establishment.Spectrum-subtraction leads to the variance in local straight line,which serves as a key in discrimination of whether suspected CPD is adulterated or not.Sibutramine hydrochloride,fenfluramine hydrochloride,sildenafil citrate and lovastatin were used as reference substances of UPD to analyze 16 suspected CPM samples.The results show that LSLS can obtain an accurate quantitative and qualitative analysis of suspected CPM.It is possible for the method to be potentially used in the preliminary screening of CPM containing possible UPD.

The methoxycarbonylation mechanism of synthesizing 2,4-toluene dicarbamate from 2,4-toluene diamine and dimethyl carbonate catalyzed by anhydrous zinc acetate was investigated by Fourier transform infrared spectroscopy.The result shows that the new coordination complex was formed by oxygen atom of dimethyl carbonate’s carbonyl group attaching to zinc atom of anhydrous zinc acetate to form the Zn—O coordination bond,and the anhydrous zinc acetate changed from a bidentate ligand to a unidentate ligand.Simultaneously,dimethyl carbonate’s carbonyl group was activated.2,4-toluene diamine was a nucleophilic reagent,and it’s amidos attacked the activated carbon of dimethyl carbonate’s carbonyl group in the new coordination complex to produce the methoxycarbonylation compound 2,4-toluene dicarbamate,then the Zn—O coordination bond in the new coordination complex was broken.At the same time,the anhydrous zinc acetate returned to a bidentate ligand.

The mold fluxes samples containing transition metal oxides TiO2 were designed based on the composition of commercial mold fluxes in continuous casting of steel,and the relation between radiative heat transfer and the content of TiO2 was obtained through FTIR spectrum analysis and XRD analysis.The result of FTIR analysis indicates that TiO2 has a great negative effect on infrared transmittance of flux samples in the wavelength range of 1-6 μm.The result of XRD analysis indicates that crystallization of cuspidine was restrained with addition of TiO2,and CaTiO3 and other phases were found in the samples.The decrease in cuspidine phase is beneficial to strand lubrication in the mold.Radiation heat flux from the strand to the mold was calculated using a radiative heat transfer model concluded in previous study.Addition of TiO2 was found to result in a remarkable decrease in radiation heat flux for both glassy and crystalline samples,and the heat flux tended to decrease with increasing TiO2,with the maximal decrease reaching 30%.As a result of great refraction and scatter at surface and grain boundaries of samples,the negative effect of crystalline samples was much larger than that of the glassy ones.

Temperature and emissivity separation is the key problem in infrared remote sensing.Based on the analysis of the relationship between the atmospheric downward radiance and surface emissivity containing atmosphere residue without the effects of sun irradiation,the present paper puts forward a temperature and emissivity separation algorithm for the ground-based mid-infrared hyperspectral data.The algorithm uses the correlation between the atmospheric downward radiance and surface emissivity containing atmosphere residue as a criterion to optimize the surface temperature,and the correlation between the atmospheric downward radiance and surface emissivity containing atmosphere residue depends on the bias between the estimated surface temperature and true surface temperature.The larger the temperature bias,the greater the correlation.Once we have obtained the surface temperature,the surface emissivity can be calculated easily.The accuracy of the algorithm was evaluated with the simulated mid-infrared hyperspectral data.The results of simulated calculation show that the algorithm can achieve higher accuracy of temperature and emissivity inversion,and also has broad applicability.Meanwhile,the algorithm is insensitive to the instrumental random noise and the change in atmospheric downward radiance during the field measurements.

A series of Co—V—O (meta-CoV2O6,pyro-Co2V2O7,and ortho-Co3V2O8) catalysts were prepared by microwave oxalate co-precipitation method and characterized by (XRD),TEM,BET,FTIR,XPS,H2-TPR and conductivity measurement.The catalytic characters of the catalysts for propane oxidative dehydrogenation were investigated.The FTIR spectra of catalysts were obtained in the range of 400-1 100 cm-1 and their major bands were assigned.The peak separation fitting of O(1s) XPS spectra was carried out and the quantity of oxygen species was calculated.The results of XRD characterization showed that pure meta-CoV2O6,pyro-Co2V2O7,and ortho-Co3V2O8 with nice structure were obtained.The TEM images demonstrated that the catalysts showed uniform particle with the mean particle size of 20-30 nm.The diagram of the relationship between electrical conductivity and oxygen partial pressure of Co3V2O8 and Co2V2O7 showed dσ/dPO2＞0,which implied that these were p-type semiconductor,and CoV2O6 reverse showed dσ/dPO2＜0,which implied n-type semiconductor.48.12%,47.82% and 35.24% of C3H6 selectivities were obtained for p-type semiconductor Co3V2O8,Co2V2O7 and n-type CoV2O6 catalysts respectively at 10% C3H8 conversion,and the results showed that p-type semiconductor catalysts Co3V2O8 and Co2V2O7 showed higher activity than n-type catalyst CoV2O6.The results of FTIR,XPS,H2-TPR and conductivity measurement indicated that transferring between non-stoichiometric and lattice oxygen that easily happened in Co3V2O8 and Co2V2O7 catalysts might promote the oxidation-reduction reaction between different valence vanadium species,and promoted the oxygen vacancy formation.Furthermore,the forming of Co—O—V bridge bond that was easy to shift between Co and V increased the mobile oxygen species of O-2,O2-2 and O- and made the redox reaction among different valence V be realized.It is concluded that high catalytic properties of p-type semiconductor Co3V2O8 and Co2V2O7 can be attributed to the abundant oxygen species O- that existed in these catalysts.

In order to enhance the prediction accuracy of spectral analysis models and reduce their input number,this paper presents a simple and rapid wavelength selection method based on PLS projection correlation coefficients.These correlation coefficients are decided by both the changes in spectra data and the PLS regression coefficients between spectra matrix and concentration vector.Compared with the traditional wavelength selection method based on correlation analysis,the novel proposed method obviously improves the robustness of spectral analysis models and reduces their input number sharply.Applying the proposed method to 208 gasoline samples,the experimental results show that the number of calibration model input decreases to 30% of the original wavelength number,and the root mean square error of cross validation is reduced from 0.44 to 0.34.This method can be widely used in wavelength selection and data compression in spectral quantitative analysis.

Tapioca starch was used as the main material and self-developed organic-bentonite used as the modifier to make tapioca starch/bentonite composite binder by melting and solution intercalation technologies.The binder was characterized by means of FTIR,XRD and mechanical performance test.The results showed that the interlamellar spacing of improved organic bentonite was larger than that of organic bentonite and Na-bentonite,and the more the interlayer spacing of bentonite,the more advantageous the binder to the intercalation reaction between starch and bentonite,leading to higher dry tensile strength.The nanometer composite binder also features high bond strength,good humidity resistance,low costs and simple process,and is environment-friendly.

The quality of hay can directly affect the price of hay and also livestock productivity.Many kinds of methods have been developed for detecting the quality of hay and the method of near infrared spectroscopy (NIRS) has been widely used with consideration of its fast,effective and nondestructive characteristics during detecting process.In the present paper,the feasibility and effectiveness of application of NIRS to detecting hay quality were expounded.Meanwhile,the advance in the study of using NIRS to detect chemical compositions,extent of incursion by epiphyte,amount of toxicant excreted by endogenetic epiphyte and some minim components that can not be detected by using chemical methods were also introduced detailedly.Based on the review of the progresses in using NIRS to detect the quality of hay,it can be concluded that using NIRS to detect hay quality can avoid the disadvantages of time wasting,complication and high cost when using traditional chemical method.And for better utilization of NIRS in practice,some more studies still need to be implemented to further perfect and improve the utilization of NIRS for detecting forage quality,and more accurate modes and systematic analysis software need to be established in times to come.

The present study investigated the feasibility of visible and near infrared reflectance spectroscopy (NIRS) method for the detection of fish meal adulteration with vegetable meal.Here the authors collected fish meal and soybean meal (representative vegetable meal) which were common used in our country.Fish meal was adulterated with different proportion of soybean meal and then the doping test samples were prepared.Qualitative discriminant analysis and quantitative analysis were studied with representative fish meal adulterated with soybean meal.Two hundred and six calibration samples and 103 validation samples were used in the qualitative discriminant analysis.The effects of different spectrum pre-treatment methods and spectrum regions were considered when the qualitative discriminant analysis model was established.Based on the smallest standard error of cross validation (SECV) and the correct rate,the spectrum region of visible and NIR was chosen as the best region.The eventually established pre-treatment methods were the standard multi-scatter correction (Std MSC) combined with the second derivative (2,4,4,1).Then the independent external validation set was used to test the model,and there was no false positive samples and false negative samples.The correct discriminant rate was 96.12%.In quantitative analysis,130 fish meal samples adulterated with soybean meal were used as calibration set.The calibration model was established by partial least squares (PLS).Furthermore,the effect of different spectrum pre-treatment methods and the spectrum region were considered.The results showed that the best pre-treatment method was the standard normalized variate (SNV) combined with the second derivative (2,4,4,1).The coefficient of determination (R2) and the standard errors of calibration (SEC) were 0.989 0 and 1.539 0 respectively between the predictive value and the actual value.Sixty five fish meal samples adulterated with soybean meal were used as independent validation set.The coefficient of determination (R2) and the standard errors of prediction (SEP) were 0.988 8 and 1.786 0 respectively,and the ratio of standard deviation of reference data in prediction sample set to the standard errors of prediction (RPD) was 8.61.The results showed that the NIRS could be used as a method to detect the existence and the content of soybean meal in fish meal.

In the present study,19 soybean (Glycine max L.) cultivars were analyzed and found to differ considerably in aluminum (Al) resistance.The cultivars Zhechun No.2 (Al-resistant) and Zhechun No.3 (Al-sensitive) were selected for further analysis.Experiments were performed with plants grown in full nutrient solution for 30 days.Fourier transform infrared spectrometry (FTIR) with OMNI-sampler was applied to the direct determination of different varieties of soybean root tissues,treated with aluminum in a dose-and time-dependent manner plus exogenous citric acid.Then the characteristic absorption peaks of spectra were analyzed and some differences in the FTIR spectra among samples were found from the comparison of the spectra.Results showed that the intensity and the shape of absorption peaks of their FTIR spectra exhibited some differences between different kinds of soybean and different treatment,especially around 1 057,1 602,2 927 and 3 292 cm-1,which mainly reflected the content variety of protein,glucide,nucleic acid and so on.Thus it could be concluded that the effect of aluminum stress and existence of exogenous citric acid did not change the component of chemical substance in soybean roots,although the content of certain substance varied.The two dimensional discriminates analysis chart was drawn by the ratio of area at 2 927 cm-1 to that at 3 297 cm-1 as the abscissa vs the ratio of area at 1 057 cm-1 to that at 1 602 cm-1 as the vertical,to discover the difference between the treatment of aluminum plus exogenous citric acid and that of single aluminum.Result indicates that the difference in the shape of absorption peaks of FTIR spectra became smaller and that presumed the content variety with different treatment was not remarkable under the condition of exogenous citric acid,especially in Zhechun No 3.From all mentioned above it is made clear that exogenous citric acid could really ameliorate distinctly the effect of aluminum on soybean roots which was detected by direct determination of FTIR spectrum,giving the fact that FTIR could reflect the ameliorating effect of exogenous organic acid on plant tissue under aluminum stress.

The spectra of root,stem,leaf of soybean samples with 0,20,40,60 mg·L-1 Al3+ were determined by Fourier transform infrared (FTIR) spectrometry with OMNI-sampler.Little difference was found in the spectra of leaf between two soybean cultivars,aluminum-resistant cultivar Zhechun NO.2 and aluminum-sensitive cultivar Zhechun NO.3,except the indices of wave number-absorbance from 928 to 1 200 cm-1,and similar results were also observed in stem and root samples of the two soybean cultivars with 0 mg·L-1 Al3+.However,results from the comparison of the spectra showed some distinguishable differences in the intensity and the shape of absorption peaks of their FTIR spectra from 721 to 3 366 cm-1 of Al-stressed samples and control samples between the two soybean cultivars,and more evident differences of FTIR were exhibited in Al-stressed roots,stems and leaves with higher concentration of Al3+.The increased absorbance at 2 929 and 3 350 cm-1 was found in root FTIR spectra with 20,40,60 mg·L-1 Al3+, while roots got maximum absorbance at wave number of 1 375 cm-1 with 20 mg·L-1 Al3+,which decreased with higher concentration of Al3+,and the same results were showed at wave numbers of 1 410,1 423,1 549 and 1 645 cm-1.Absorption peak showed maximum at wave numbers of 1 051,2 850,2 929 and 3 350 cm-1 in stem FTIR spectra with 60 mg·L-1 Al3+.There was little difference between the spectra of Al-stressed leaves and controls at wave numbers from 1 750 to 2 750 cm-1,but visible difference in leaf spectra was exhibited at other wave number.Moreover,the results showed that the FTIR spectra of aluminum-sensitive cultivar Zhechun NO.3 showed much more observable differences than aluminum-resistant cultivar Zhechun NO.2 with different concentration of Al,implying that the material metaboly of aluminum-sensitive soybean was evidently affected by Al.Therefore,FTIR spectra could be used broadly for identification of the endurance of different soybean cultivars to Al.

In many cases,the scattering can be an overpowering contributor to the spectrum,sometimes accounting for most of the variance in the data.Although the degree of scattering is dependent on the wavelength of the light that is used and the particle size and refractive index of the sample,the scattering is not uniform throughout the spectrum.In order to remove the effects of scattering and noise on multivariate calibration of IR spectral signals,orthogonal signal correction (OSC) was used as a method to preprocess the infrared spectra of the hydrocarbon source rocks to be quantitatively determined,thus to establish the calibration model of hydrocarbon source rocks before and after pretreatment by inetval partial least square (iPLS).Pretreatment was smoother and more orderly array.This indicated that the major information in hydrocarbon source rocks spectra could be reserved while part of noise was removed by OSC method.In this study,pretreatment calibration model was obtained,the model’s correlation coefficient is 0.994 04 and RMSE is 0.635 2,but with no pretreatment the calibration model’s correlation coefficient is 0.770 9 and RMSE is 3.925 7.

Visible and near-infrared reflectance spectroscopy (NIRS) was applied in the discrimination of sugar varieties.NIRS is a pollution-free,rapid,quantitative and qualitative analysis method,with the characteristics of high speed,non-destructiveness,high precision and reliable detection data,etc.Four kinds of sugar were gained from the local market and each species was divided into 40 samples.One hundred twenty samples were used as the training set and the remainders (total 40 samples) formed the prediction set.Samples were scanned by a spectroradiometer within a wavelength region of 325-1 075 nm.Three pre-processing methods were applied on the spectra prior to building the PLS regression model.The multivariable analysis using partial least square (PLS) was applied to abstract characteristics of the pattern.Through full cross validation,11 principal components presenting important information of spectra were confirmed.The correlation coefficient (R),residual variance (RV) and standard error of calibration (SEC) were 0.999 916,0.000 985 and 0.014 538 respectively.Then,these 11 principal components were taken as the input of BP neural network.This model was used to predict the varieties of 40 unknown samples.Through training and prediction,the recognition rate of 100% was achieved by BP neural network.This model has come to be reliable and practicable.Thus,it is concluded that PLS analysis combined with BP neural network is an available alternative for pattern recognition based on the spectroscopy technology.

Near infrared reflectance spectroscopy is a new developed method able to analyse the content of specific compound in the detected sample quickly and efficiently,and has been wildly used in many fields such as evaluation of nutrition value of forage,cultivar discrimination and so on.In the present paper a new method was developed for the discrimination of salt tolerance of alfalfa cultivars by Fourier transform near infrared reflectance spectroscopy.Firstly absorbance spectrum generated by Fourier transform near infrared spectrometry was used to classify twenty alfalfa cultivars.These cultivars were obviously clustered into two groups:salt tolerant and salt sensitive,similar to the result screened by the traditional methods.Based on these results,a discrimination model was built for identification of salt tolerant cultivars.And then,six other cultivars were used to verify the function of the discriminating model.Result showed that the distinguishing rate of 100% was achieved with the performance index of 85.7%.It is concluded that Fourier transform near infrared spectrum is useful for classification and discrimination of salt tolerance of alfalfa cultivars.The method can be applied to estimate salt tolerance of alfalfa cultivars,and works more quickly and efficiently than the traditional screening methods.Application of Fourier transform near infrared spectrum to discriminating salt tolerance of alfalfa cultivars is significant in both academic and technical areas.

In order to demonstrate the ability of Fourier transform infrared (FTIR) spectroscopy for the differentiation of macro-fungi at variety level,FTIR spectroscopy was used to obtain vibrational spectra of Amanita hemibapha (Berk.& Broome) Sacc.subsp.hemibapha and Amanita hemibapha var.ochracea Zhu L.Yang.The results show that their spectra are very similar to each other,with a small difference in the relative intensity of absorbance.For the purpose of enhancing the spectral resolution and amplifying the differences,the first-derivative spectra and second-derivative spectra were selected for evaluating the correlation coefficients respectively.The results show that the second-derivative spectra of two fruit bodies of Amanita hemibapha (Berk. &Broome) Sacc.subsp.hemibapha and one fruit body of Amanita hemibapha var.ochracea Zhu L.Yang have obvious differences,the correlation coefficients are only 0.245 and 0.356 respectively,the second-derivative spectra of two fruit bodies of Amanita hemibapha (Berk.&Broome) Sacc.subsp.hemibapha are very similar,and the correlation coefficient is 0.865.The authors’ results show that Fourier transform infrared spectroscopy in combination with correlation analysis method can be used to identify Amanita hemibapha (Berk.&Broome) Sacc.subsp.hemibapha and Amanita hemibapha var.ochracea Zhu L.Yang rapidly and accurately.

Purification of raw sulfolene was investigated by adsorption method using activated carbon and exchange resin,and the sulfolene was detected by UV-Vis,FTIR and XRD.FTIR spectra of sulfolene and sulfolane were especially analyzed.The results showed that it was the best way to purify industrial grade sulfolene by activated carbon connected exchange resin.The sulfolane with high quality was synthesized by purified sulfolene through catalytic hydrogenation with catalyst.The conversion efficiency was more than 99.8%.It could provide experimental data for the technical reform of industry equipment.

The SERS spectra were measured from normal and the diabetic serum.In the diabetic serum,the band of amide II shifted to 1 585 cm-1 and the relative intensity increased 14%,while the relative intensity of 593 cm-1 which belongs to amide Ⅵ reduced 33%.For the protein side chain,the band at 1 368 cm-1 assigned to the “buried” tryptophan shifted to 1 365 cm-1 of the “exposed” and the relative intensity reduced 59%. The relative intensity of 635 cm-1 assigned to the gauche conformation of the C—S decrased 15% and the band at 725 cm-1 increased 58%.These indicate that the structure of the protein changed in the diabetic serum.The relative intensity at 1 449 cm-1 assigned to the lipids characteristic increased 58%.The relative intensity of the glucide characteristic at 1 331,1 099 and 740 cm-1 increased 35%,100% and 62%,respectively.So it is indicated that the content of lipids,glucide and protein increased in diabetic.These results may offer a powerful experimental basis for diabetes diagnosis and biochemistry mechanism study.

Silver nanoparticles were synthesized by the method of combining heating with UV irradiation.In the authors’ work,the shape and size of nanograins which carry positive electrical charges are uniform and their average diameter is 7.8 nm.Based on the electrostatic self-assembly characteristics of DNA,silver nanoparticles were equally assembled on predefined aligned calf thymus DNA to form DNA silver nanowires.The diameter of the wires is about 30 nm and the length is 2 μm.The Raman spectra indicate that the silver nanoparticles mainly attach to the backbone chain of DNA and affect the vibration properties of deoxyribose and base.The intensity of the peaks at 782 and 1 098 cm-1 assigned to stretch vibration of phosphoric skeleton decreases sharply and the band at 782 cm-1 shifts to 791 cm-1.The bands of deoxyribose C—O stretch vibration at 1 011 and 1 050 cm-1 shift to 1 030 and 1 064 cm-1 respectively.The characteristic peaks of bases at 1 372,1 334,1 304 and 728 cm-1 shift to 1 368,1 320,1 294 and 731 cm-1,respectively.

The Raman spectrum has been employed to discuss the explanation of the structure of water and the vibration of [PO3-4] tetrahedron of the turquoise from Hubei and Anhui province.The Raman spectra are resulted mainly from vibrations of water,hydroxyl units and [PO3-4] tetrahedron of turquoise.The 3 510-3 440 cm-1 bands with the main Raman spectra peak at 3 470 cm-1 were assigned to the ν(OH) stretching vibrations and the 3 290-3 070 cm-1 bands assigned to the ν(H2O) stretching vibrations.The bands observed at 1 200-1 030 cm-1 with the strong peak at 1 039 cm-1 were assigned to ν3(PO4) antisymmetric stretching vibrations.And the Raman spectra peaks at 650-540 cm-1 and 500-410 cm-1 were attributed to the ν4 and ν2 bending vibrations of [PO3-4] tetrahedron,respectively.The spectra of the turquoise from different localities are basically similar and subtly different.

The level and form of nitrogen fertilizer could significantly influence the growth and development of plant.The present paper studied the content of chlorophyll by the instrument SPAD-502 after treated with different nitrogen fertilizer level and different nitrogen fertilizer form.The results showed that the contents of chlorophyll in the last expanding leaf of maize seedling treated by levels of 0,100 and 200 kgN·hm-2 respectively had no significant difference,with the value of SPAD ranging from 43.3 to 43.7,but when the nitrogen fertilizer level got to 400 kgN·hm-2,the content of chlorophyll in the last expanding leaf of maize seedling increased significantly,which can be caused by other components in the nitrogen fertilizer,which needs to be further studied.The experiments of nitrogen form showed that maize seedling treated by ammonia nitrogen ((NH4)2SO4) contained more chlorophyll than that treated by saltpeter nitrogen (Ca(NO3)2),and the statistical analysis was significant.The reason for the effect of nitrogen form on the content of chlorophyll of maize seedling leaf could be:(1) it is easier for plants to absorb ammonia nitrogen ((NH4)2SO4) than saltpeter nitrogen (Ca(NO3)2);(2) ammonia nitrogen ((NH4)2SO4) contains more trace elements which can promote the growth and development of plants.

The method of retrieving the concentration of trace gases using of the diagnostic absorption of trace gases based on the scattered sunlight is called passive DOAS.It has been developed so fast in recent years because it remains simple and is prone to being combined with different platform.While retrieving the column density of trace gases with the scattered sunlight as light source,it will be affected strongly by solar Fraunhofer lines,which is also called Ring effect.It makes it hard to retrieve trace gases concentration and affects measurement precision,especially for lower concentration.The influence of Ring effect and its relation with solar zenith angle in stable day will be introduced in the present paper,and the modification will be provided so that different Ring spectrum is selected according to different solar zenith angle.The slant column density (SCD) of NO2 for 3 stable days was retrieved with this modification.It was proved that the modification is possible.

For removing silica from high concentration medium after digestion of the diasporic bauxite by sub-molten salt,the research used calcium hydroferrocarbonate with the new desilication reagent.In the reaction,calcium carbonate,calcium hydroxide and calcium ferrite were by-product,therefore the reaction factors showed significant influence on the synthesis and disilicating efficiency.To explore the synthesis mechanism and optimize the reaction factors,the composition of the intermediate obtained from the synthesis reaction was investigated through the combination of FTIR,ICP-AES and desilication reaction.The FTIR and desilication reaction results revealed that calcium hydroferrocarbonate is metastable compound in solution,and the reaction temperature and reaction time have significant influence on the systhesis.With the temperature and reaction time increasing,the content of calcium hydroferrocarbonate in the composition first increased and then reduced.The optimal factors were:temperature of 30 ℃,reaction time of 16 hours,the liquid to solid mass ratio of 20 and rpm of 500 r·min-1.The crystal structure of calcium hydroferrocarbonate was investigated,and was found to be rhombohedral,including H2O bond,—OH bond and Fe—O bond.

Interest in the interaction between cationic porphyrins,particularly derivatives of meso-tetra(N-methylpyridinium-4-yl)porphyrin(TMPyP),and DNA abounds because they are versatile DNA-binding agents that could find application in photodynamic therapy,cancer detection,artificial nucleases,virus inhibition and so on.The interaction of two water-soluble cationic porphyrins,meso-tetrakis(4-N,N,N-trimethylanilinium)porphyrin (TMAP) and 5-phenyL-10,15,20-tris[4-(N-methyl)pyridinium]porphyrin (TriMPyP),with calf thymus DNA (ctDNA) was studied by UV-Vis absorption spectroscopy,fluorescence spectroscopy and resonance light scattering technique.TriMPyP forms aggregate in water due to the molecular asymmetry while TMAP exists as monomers.At lower concentrations of ctDNA (R>1,R =cTMAP/cDNA base pair),the interaction of TMAP with DNA leads to significant hypochromicity and bathochromic shift of absorption spectra.And the fluorescence of TMAP was quenched while it showed enhanced resonance light scattering signals.But the extent of enhancement of resonance light scattering signals is very small,so the aggregate of TMAP is not very high.These observations indicate the self-stacking of TMAP along the DNA surface.At higher concentrations of ctDNA (R<1),TMAP association with DNA is via outside binding which is accompanied with hyperchromic effect and fluorescence enhancement while the resonance light scattering signals is reduced.DNA addition decreases the fluorescence intensity of TriMPyP and it shifts the peak to the higher wavelengths (red shift).The interaction with DNA promotes the aggregation of TriMPyP and no simple outside binding is observed even at higher concentrations of ctDNA.The steric effect of molecular distortion constrains the intercalation or further binding to DNA.The effect of ionic strength on the interaction was investigated at two DNA concentrations,1.2 and 24.0 μmol·L-1,for TMAP.The Interactions of both porphyrins with DNA show high sensitivity to ionic strength.By addition of NaCl,electrostatic attraction is decreased,resulting in the change of binding mode.

The authors studied the fluorescence change of immobilized lipase from Rhizomucor miehei in the microwave assisted enzymatic esterification of caprylic acid and butanol in organic medium by investigating the fluorescence spectra in solvent or aqueous buffer after incubating the lipase with the solvent,caprylic acid and butanol under microwave irradiation,respectively.A comparison was made with the conventional heated enzymatic esterification in the solvents.Both of the heating modes,the microwave irradiation and conventional heating,can enhance the fluorescence intensity without shifting the emission wavelength of the lipase.In the circumstance that the irradiation can accelerate the esterification,the irradiation can enhance the exposure of the lipase protein molecules in the aqueous environment after incubating the lipase with solvents or the substrates.The effect of the reaction mixture on the fluorescence intensity was dominated by the solvents.The trend of the plot of log P versus the initial reaction rate was similar to that of log P versus fluorescence intensity of lipase in aqueous buffer after esterification;but was different from that of log P versus fluorescence intensity of lipase in organic medium.

In the present paper,a field experiment with different N rates was conducted to study the possibility of using the visible spectrum of crop canopy to diagnose N status for the summer maize.Visible spectrum parameters were compared with the leaf SPAD readings,total N concentration and vein nitrate concentration.Field measurement data showed that the greenness intensity,blueness intensity,normalized redness intensity,normalized greenness intensity and normalized blueness intensity of the maize canopy have significant relationships with leaf SPAD readings,total N concentration and vein nitrate concentration (under a low N input condition,with vein nitrate concentration ＜2 000 mg·L-1) at summer maize 10 leaves unfold stage.The greenness intensity,blueness intensity,normalized greenness intensity and normalized blueness intensity have significant relationship with the vein nitrate concentration under a low N input condition (vein nitrate concentration ＜2 000 mg·L-1).But when the maize vein nitrate concentration is above 2 000 mg·L-1,there is no spectral parameter showing significant relationship with the vein nitrate concentration.The visible spectrum parameters reached a plateau with the vein nitrate concentration increasing.To sum up,the normalized greenness intensity (NGI) and normalized blueness intensity (NBI) have higher r values (0.45-0.66) than other parameters.

Aiming at the problem that a convenient multivariate statistical model is in general not available for the multi-spectrum feature of land use/cover(LUC)class in remote sensing (RS) image,because the class is made of multiple covered species,a spatial-distance analysis approach of multi-spectrum feature distribution for RS image LUC is present,with the mean vector of samples as LUC class center,with max-min clustering algorithm forming the class multi-clustering-centers,the spatial-distances from the class center to these multi-clustering-centers were calculated.With the distance as abscissa and the percentage of the clustering-center pixels to the whole sample pixels as ordinate,the intra- and inter-classes distance distribution charts were constructed to analyze the multi-spectrum feature distribution of RS image LUC.The results of these samples classification tally with the conclusions of spatial distance analysis,indicating that this approach is feasible.In this approach the multi-dimensional spectrum information is turned into one dimensional distance information,the spatial-distance calculation and clustering threshold confirmation are realized easily,and the multi-spectrum feature of LUC class is clear,so it is a better approach to solving the multivariate distributing problem of multi-spectrum feature.

A simple and sensitive fluorescence quenching method was developed for the examination of cefadroxil and cephradine.The method is based on the reaction of fluorescein with cefadroxil or cephradine,resulting in the formation of complexes with weak fluorescence,i.e.quenching the fluorescence intensity of the system.By the use of absorption spectroscopy,infrared spectroscopy and quantum chemistry calculation the reaction process of the cephalosporins and the bonding of reaction mechanism were basically analyzed.Based on this,the fluorescence spectrometry method for the determination of the contents of cefadroxil and cephradine was developed:The maximum excitation and emission wavelength was at 483 nm,and 517 nm and 519 nm respectively.The linear calibration curves were obtained over the cefadroxil and cephradine concentration ranges of 0.3-13.5 mg·L-1 and 0.1-1.2 mg·L-1 respectively The proposed method has been successfully applied to the examination of the subject drugs in its pharmaceutical dosage with good precision and accuracy.The recoveries are 99.63%-99.91% and 99.71%-100.08% respectively.

Interaction between cucurbit[8]urils and ofloxacin,fleroxacin,gatifloxacin and sparfloxacin was detected by UV and fluorometric analysis in details.The experimental results revealed that the acidity of the medium effected the interaction of the title systems.The cucurbit[8]urils could interact with ofloxacin,fleroxacin and gatifloxacin with a ratio of 1:1 and with sparfloxacin with a ratio of 2:1 when pH＜8.0.Inclusion stability constants of the systems of Q[8] with the guests detected at different pH values were 103-104 L·moL-1,while for SPFX it was 1011 L2·mol-2.The results of the analysis of the four systems showed that the linear relation can reach 2 or 3 orders of magnitude and the limit of detection can be as low as 10-9-10-7 mol·L-1.

In the present paper,the authors examined some oily core by microscopic infrared spectral imaging methods.Those methods can be classified in three modes,referred to as “transmission mode”,“reflection mode” and “attenuated total reflection(ATR) mode”.The observed oily core samples belong to siltstone.The samples were made of quartz(-20%),feldspar(-50%) and other rock(igneous rock 25%,metamorphic rocks 1%,sedimentary rock 4%);a little recrystallized calcite (-1%) was in the pore,and the argillaceous matter was distributed along the edge of a pore.The experimental work has been accomplished using SHIMADZU Model IRPrestige-21 Fourier transform infrared spectrophotometer plus AIM8800 infrared microscope.For IRPrestige-21,the spectral range is 7 800-350 cm-1,spectral resolution is 1 cm-1,and AIM8800 microscope with motorized stages has a resolution of 1 micrometer.The experiment was preformed at room temperature.In “transmission mode” infrared spectral imaging method,the spectral range was limited in wavenumbers greater than 2 000 cm-1 because the base glass piece has strong light absorption.In contrast with “transmission mode”,in “attenuated total reflection(ATR) mode”,the depth of penetration into sample is very small (1-2 micrometer),then the absorbance value has nothing to do with base glass piece light absorption.In microscopic infrared transmission spectra,the experimental result shows that there are some strong absorption peaks at 2 866,2 928,3 618 and 2 515 cm-1.respectively.The former two peaks correspond to methyl(methylene) symmetrical and unsymmetrical stretch vibration mode,respectively.The latter two peaks correspond to hydroxyl-stretch vibration mode and S—H,P—H chemical bond stretch vibration mode,respectively.In microscopic longwave infrared ATR spectra,there are other stronger absorption peaks at 1 400,1 038 and 783 cm-1 respectively,corresponding to methyl(methylene) widing vibration mode and optical mode of quartz crystal,respectively.On the basis of the above-mentioned experimental result,the authors have separately accomplished microscopic infrared transmission and ATR spectral imaging using mapping procedure.The “transmission mode” and “ATR mode” have their own advantage and disadvantage.According to specific structural and spectral properties of sample and the practical research goal,we should select a practical procedure.

PRI (Photochemical reflectance index) has provided a fast and reliable method for estimating photosynthetic light use efficiency across species.Increasing efforts have been paid to explore the effects of such disturbances as water content and CO2 concentration on the relationship between PRI and LUE.In the present paper,five types of wheat with different nitrogen and kalium fertilization were selected to study the influence of varied fertilization levels on the relationship between PRI and LUE.The results proved that leaf chlorophyll contents as well as canopy PRI increased with the increase in nitrogen and kalium fertilization.For all the nitrogen and kalium fertilization of wheat,the regression coefficients R2 are 0.710 4 and 0.853 4 respectively.When considering different levels of fertilization,the regression coefficients R2 are 0.602 0,0.640 4 and 0.801 4 for three types of nitrogen fertilization,and 0.379 1,0.640 4 and 0.676 9 for kalium fertilization.Therefore,PRI not only can be a reliable indicator of LUE but also can reflect the fertilization situation of wheat with different precisions of LUE assessment which can provide important reference for management and precision agriculture.

In order to non-invasively investigate nucleoplasmic viscosity in real time with good temporal resolution,the present study firstly introduced a new method based on fluorescence correlation spectroscopy (FCS).FCS is a kind of single-molecule technique with high temporal and spatial resolution to analyze the dynamics of fluorescent molecules in nanomolar concentration.Through a time correlation analysis of spontaneous intensity fluctuations,this technique in conjunction with EGFP as a probe is capable of determining nucleoplasmic viscosity in terms of Stokes-Einstein equation as well as its corresponding analysis of the diffusion coefficient for EGFP in the nucleus.The results showed that nucleoplasmic viscosity of ASTC-a-1 cells and HeLa cells were respectively (2.55±0.61) cP and (2.04±0.49) cP at pH 7.4 and 37 ℃,consistent with the results by traditional methods,and nucleoplasmic viscosity was found to be larger than cytoplasmic viscosity.Meanwhile,the real-time analysis of nucleoplasmic viscosity in living cells exposed to hypotonic media proved that FCS could be used to track the changing rheological characteristics of the nucleoplasm in living cells.Taken together,this study suggests that FCS provides an accurate and non-invasive method to investigate the microenvironment in living cells on the femtoliter scale and it can be used as a powerful tool in researches on the dynamical processes of intracellular molecules.

Automatic detection of weeds is necessary for site-specific application of herbicides or precise physical weed control.Leaf reflectance is mainly determined by photosynthetic pigments,leaf structural properties and water content,so spectral reflectance characteristics can be used for weed discrimination.The spectral reflectance of cotton,rice and weeds was determined in the range from 350 to 2 500 nm using the Analytical Spectral Device Full Range FieldSpec Pro (ASD) in laboratory.The discrimination analysis was done using the statistical software package SAS.The characteristic wavelengths were selected by using STEPDISC procedure.With the selected characteristic wavelengths,discriminant models were developed using the DISCRIM procedure in SAS.For distinguishing spine-greens from cotton,three characteristic wavelengths,385, 415,and 435 nm,were selected,and good classification performance (100% accuracy) was achieved. The combination of characteristic wavelengths 415 and 435 nm has the biggest contribution to discrimination model.For distinguishing barnyard-grass from rice,five characteristic wavelengths,375,465,585,705,and 1 035 nm,were selected,and also good classification performance (100% accuracy) was obtained.The transition point from yellow to orange wavelength (585 nm) and the wavelength 705 nm in the red edge contributed more to discrimination model.

For a reliable diagnosis of plant diseases and insect pests,spectroscopy analysis technique and mutispectral imaging technique are proposed to diagnose five cucumber diseases,namely Trichothecium roseum,Sphaerotheca fuliginea,Cladosporium cucumerinum,Corynespora cassiicola and Pseudoperonospora cubensis. In the experiment,the cucumbers’ multispectral images of 14 visible lights channels,near infrared channel and panchromatic channel were captured using narrow-band multispectral imaging system under standard observation environment.And the 5 cucumber diseases,healthy leaves and reference white were classified using their multispectral information,the distance,angle and relativity.The discrimination of Trichothecium roseum,Sphaerotheca fuliginea,Cladosporium cucumerinum, and reference white was 100%,and that of Pseudoperonospora cubensis and healthy leaves was 80% and 93.33% respectively.The mean correct discrimination of diseases was 81.90% when the distance and relativity were used together.The result shows that the method realized good accuracy in the cucumber diseases diagnosis.

The rapid and real-time analytical system based on photometrical methodology of a homemade holographic flat field concave grating integrated microspectrometer was established,which was applied to detect the remnant formaldehyde in the intermediate of ranitidine synthesis.Based on the chromogenic reaction of formaldehyde with MBTH and NH4Fe(SO4)2 in acid medium,the methodology of formaldehyde detection was developed.Furthermore,factors affecting the chromogenic reaction were optimized in details.Under the optimized conditions,a good linear relationship in the range of 0.04-0.20 μg·mL-1 (r=0.993 8) was obtained and the lowest detection limit achieved 0.04 μg·mL-1.In order to demonstrate the methodology and reliability of the microspectrometer analytical system,comparative experiments were carried on among the homemade microspectrometer,SHIMADZU UV-2550 spectrophotometer and U.S.A.Ocean Optic HR2000 Microspectrometer.The F-test was employed to check the reliability and efficiency of the proposed methodology.No significant difference was shown among them.The experimental results showed that the set up analytical system could satisfy the needs of quick and real-time detection in practical applications for experimental analysis,industrial monitoring and medicinal diagnosis.

An energy transfer technique for 4-(2-pyridylazo) resorcinol (PAR)-vanadium(Ⅴ)and acridine orange(AO)was studied,and the optimum conditions of energy transfer system were also experimented.It was found that in citrate-Na2HPO4 buffer solution at pH=5.5,energy transfers from AO to vanadium(Ⅴ)-PAR complexes.A new method based on energy transfer fluorescence quenching for the determination of trace vanadium(Ⅴ)with AO-PAR-V(Ⅴ)was established.The equation of linear regression is ΔF=165.4c+2.5,and the determination range of vanadium is 0.012-0.5 μg·mL-1,with detection limit of 0.004 5 μg·mL-1.The correlation coefficient is R=0.998 5,and relative standard deviation is 0.6%.The fluorescence reaction is completed within 15 minutes,and relative fluorescence intensity remains unchanged for 2.5 hours.The influence of foreign ions on the determination of V (0.5 μg· mL-1) was examined,with a related error of 5%.The method has been used in the determination of trace vanadium in biological samples with the relative error of 6.98%,which meets the requirements of trace analysis.

The fluorescence characteristics of carbamate pesticide,namely carbaryl,was studied based on the basic theory that organic molecules can emit fluorescence as they are excited by rays.Consequently,a fluorescence spectrograph was applied to conduct fluorescence spectrum experiments with standard solution of carbaryl and the hydrolyzed carbaryl,the fluorescence spectra were obtained under the condition of different concentration,and the relation between their fluorescence intensity and concentration was also analyzed.On the basis of this,using the soil as a medium,the fluorescence characteristics of carbaryl and the hydrolyzed carbaryl in the soil were researched as well.The experiment results show that carbaryl and the hydrolyzed carbaryl in the soil can also emit intensive fluorescence which is similar to that in solution as being excited by UV rays.The fluorescence spectra are located between 400 and 750 nm and they all have smooth spectrum forms and fine resolution,so the spectra are suitable for qualitative and quantitative analysis of carbaryl.As a result,it is feasible to carry out the detection and analysis of the concerned pesticides in soil directly or indirectly by fluorescence spectral analysis.

Single pulses exported from high-energy neodymium glass laser were used to act on the same position of soil sample surface repeatedly,and the plasma emission spectra generated from sequential laser pulse action were collected by spectral recording system.The experimental results show that the laser-induced soil plasma radiation was enhanced continuously under the confinement effect of the crater walls,and the line intensities and signal-to-background ratios both had different improvements along with increasing the number of acting pulses.The photographs of the plasma image and crater appearance were taken to study the plasma shape,laser-induced crater appearance,and the mass of the ablated sample.The internal mechanism behind that laser-induced crater enhanced plasma radiation was researched.Under the sequential laser pulse action,the forming plasma as a result enlarges gradually first,leading to distortion at the trail of plasma plume,and then,its volume diminishes slowly.And also,the color of the plasma changes from buff to white gradually,which implies that the temperature increases constantly.The laser-induced crater had a regular shape,that is,the diameter increased from its bottom to top gradually,thus forming a taper.The mass of the laser-ablated substance descends along with increasing the amount of action pulse.Atomization degree of vaporized substance was improved in virtue of the crater confinement effect,Fresnel absorption produced from the crater walls reflection,and the inverse bremsstrahlung,and the plasma radiation intensity was enhanced as a result.

In self-reversal background correction the particularity of stray light that is not absorbed by the sample matrix is different from that in deuterium lamp and Zeeman background correction.The stray light is evaluated using the cut-off solution method and its effects were studied by means of simulation background absorption using potassium dichromate solution molecular absorption.Experiments confirmed that the stray light due to light source for the sample beam (Conventional pulse,low Current) and reference beam (narrow pulse,high current) is obviously different,with the former being higher than the latter.Therefore,the difference is an important source in self-reversal background correction errors and the errors can not be ignored in high background correction.The present paper also showed the relationships among stray light and lamp current,light energy,and spectral bandwidth.The results show that the ratio of stray light is much related to the lamp current,and the larger the lamp current,the smaller the ratio of stray light.The ratio of stray light that changes with lamp current is not directly related to the energy of analytical line.Stray light ratio decreases with the decrease in spectral bandwidth and its character is similar to continuous spectrum.

In the present work,inductively coupled plasma atomic emission spectrometry (ICP-AES) was used to determine the content of Zn, Na and K and the ratio of Na/K in antisense ACS transgenic tomato fruit (in which the antisense ACC synthase gene construct was inserted) and in normal tomato fruit of the same variety (Lycopersicon esculentum cv.Lichun).The difference in mineral elements content between the two tomatoes and the involvement of Zn content and Na/K ratio in the disease resistance of postharvest tomato fruit were discussed.The results showed that the ethylene biosynthesis is limited in antisense ACS transgenic tomato fruit.Meanwhile,the resistance to Rhizopus nigricans invasion of this transgenic tomato was higher,the disease incidence and lesion area in transgenic tomato fruit were 20.0% and 33.3% lower than those in control fruit,respectively.In addition,the content of Zn in transgenic tomato fruit was 0.322 μg·g-1 and was 1.5 times higher than that in Lichun tomato fruit.There was no significant difference in K content between transgenic tomato fruit and Lichun fruit,but the content of Na in transgenic tomato fruit was significant higher than that in Lichun fruit and the Na/K ratio in transgenic tomato fruit was 2.0 times higher than that in Lichun fruit.It is suggested that the content of Zn and the Na/K ratio may be involved in the resistance response to pathogen invasion and the development of antisense ACS transgenic tomato fruit.

A study was carried out on the contents of mineral elements such as Na,K,Ca,Mg,Zn,Cu,Fe,Mn and B in eight different pear varieties by ICP-MS after microwave-assisted digestion.The results indicated that the main elements of the eight pears are similar,but the content of each element is different.The content of K is the highest in the detected pears,followed by Mg,Ca and Na.Compared with the reference value of AIJN (Association of Industry of Juices and Nectars from fruits and vegetables of the European Union),the range scale of K,Mg,and Ca was higher than that of the AIJN,while the content of Na element was lower than that of the AIJN,and other elements content was consistent with it.

In the present paper,the contents of trace elements As,Ba,Co,Ni,Cu,Be,Sr,Cr,Mn,Li,P,Se,Pb,Bi,Cd,B,Zn,Mg,Fe,K,Na,Ca and Al in nineteen wines produced in Jiangxi province were determined by using inductively coupled plasma-atomic emission spectrometry (ICP-AES).The differentiation in the trace elements between wines was studied in terms of different producing regions,as well as different alcoholic degrees and qualities from the same manufacturer.The experimental results indicated that with the samples cleared up completely by a small quantity of nitric acid the method could satisfy the request of ICP-AES analysis.The relative standard deviations of the method were between 0 and 5.81%,and the recovery rates were between 90.5% and 107.6%.The measuring method provided better accuracy and precision,and the trace elements showed definite differences between wines produced from different regions and with different alcoholic degrees and qualities from the same manufacturer. For instance,there is small amount of element Bi only in the wines of A factory,the content of elements Co,P and Se is higher in the wines of B factory,the content of elements Cu,Fe,K is higher in the wines of C factory,and the content of element Al in the wines of D factory is obviously higher than others.So the research results in this paper provided the theoretical basis for further study of the relationship between wine qualities and trace elements.

The direct determination method of trace composition,Fe2O3,TiO2,MnO,K2O,Na2O,CaO and MgO,and impurity elements, Pb,Cr,Cd,Cu and As,in kaolin was studied by using inductive coupled plasma mass spectrometry(ICP-MS).After the samples were dissolved completely in HF-HNO3 at low temperature,silicon was volatilized in the form of SiF4 and separated from the solution.Then the solution was continually evaporated to dry to get the solid substance which was dissolved by the nitric acid (1+3).The internal elements 45Sc,115In and 205Tl were added on line and the effect of matrix,interface and fluctuation of instrument was overcome effectively by using internal standard calibration method.By choosing the optional operating parameters and appropriate isotopes of element to be detected,the influence of mass spectrometry interference was conquered effectively.The effect of temperature in samples preparation on the determination of arsenic was tested.The recovery for spiking sample is in the range from 95.0% to 101.0% and the relative standard deviation is in the range from 1.1% to 2.01%.In order to check the accuracy of the method,the kaolin standard reference material GBW03122 was also analyzed,and the analytical values conformed to standard values.This method has the characteristics of being simple,rapid and accurate,and can be used in the testing of trace composition and impurity elements in kaolin and ceramic product.

Trace elements are important nutritional elements for human health.Six trace elements in Fuji apple skin and pulp were analyzed by the method of ICP-MS.The results showed that the concentrations of Ca,Mn, Fe,Se,Mo and I were 197 910,1 623,14 400,2,47 and 91 ng·g-1·FW in apple skin respectively;and 58 360,281,550,4,18 and 24 ng·g-1·FW respectively in apple pulp.The concentrations of most trace elements (Ca,Mn,Fe,Mo and I) in apple skin were several times higher than those in apple pulp,especially the concentrations of Fe,Mn and I in skin was 25.18,4.78 and 2.79 times higher than those in pulp,except Se (2 ng·g-1·FW in skin and 4 ng·g-1·FW in pulp).So we should not peel apples before we eat them from regions where were not polluted by pesticides and heavy metals.

Abalone and sea cucumbers are useful,which is related with trace elements in them.In the present paper,using high-pressure sealed nitrifying pots for digestion of samples,Orthogonal test was applied to the determination of 15 kinds of trace elements in abalone and sea cucumber such as Fe,Ca,Mg,Zn,Sr,Se,Hg,Cd etc by ICP-AES.The orthogonal table of L16 (44) and experiment programs were designed.More information could be obtained with a small number of experimental times by combining chemistry with mathematical statistics,and the best experimental operation conditions could be chosen by square-error analysis.The method was simple,rapid,highly sensitive and accurate,but also features multi-element determination at the same time,with little environment pollution.The recovery rate of the method is in the range of 91.0%-110.0%,and relative standard deviations is less than 3.55%.The experimental results showed that both abalone and sea cucumber are of nutritional value of seafood,and are rich in Fe,Ca,Mg,Zn,Sr and other kinds of trace elements helpful to the human body.At the same time,because of severe environment pollution,seawater pollution should not be neglected.When seawater was polluted,hazardous substances were deposited in abalone or sea cucumber body with high levels of harmful heavy metals.Therefore,it should be a reminder that people must be careful to eat them.

Fine particulate matters (PM2.5) collected in Beijing during a period from September 2005 to May 2006 were studied.Sequential extraction procedures were applied to divide the total lead into three fractions,i.e.water soluble,liposoluble and insoluble lead.Lead concentrations and their isotopes in each fraction were then determined by inductively coupled plasma mass spectrometry (ICP-MS).Lead standard reference GBW 09133 was used to investigate the accuracy of lead concentration determination and SRM 981 was used to correct the mass discrimination and instrumental drift.The obtained results showed that the analytical precision of lead isotope ratios for SRM 981 of seven repeat measurements at lead concentration of 10 ng·mL-1 came to about 0.34,0.27 and 0.24 percent for the 206Pb/204Pb,206Pb/207Pb and 206Pb/208Pb ratios,respectively.In Beijing,the mass concentrations for PM2.5 and lead of ambient air were 125.56 and 0.415 μg·m-3 respectively for winter 2005,and 201.6 and 0.475 μg·m-3 respectively for spring 2006 on average,resembling those published results.It was indicated that the lead in the PM2.5 existed mainly in insoluble form,which accounted for 78.99%,while water soluble lead and liposoluble lead amount were 20.69% and 0.32%,respectively.The mean values of 206Pb/207Pb ratio for water soluble species and insoluble species were 1.152 6±0.009 3 and 1.219 3±0.009 1 respectively,with a significant difference (Student’s test;p＜0.01) statically.By comparing 206Pb/207Pb ratios between biological specimen and ambient air samples,the 206Pb/207Pb ratios in water soluble fraction coincided very well with those in adult blood,therefore,water soluble lead but not insoluble lead in PM2.5 may be the potential source of adults blood lead in Beijing.More attention should be paid to the effect of soluble lead in fine particle matters on human health.

A study was carried out on the contents of six trace elements,Ca,Cu,Fe,Mn,Zn and K,in roots,stems,leaves,flowers and seeds of planted Scutellaria baicalensis,by flame atomic absorption spectrophotometry (FAAS).The results indicated that Scutellaria baicalensis was rich in trace elements,meaning that it has a relatively high nutritive value.In stems of Scutellaria baicalensis,the content sequence of the six trace elements was found to be Fe＞Mn＞Zn=Cu＞K＞Ca.In leaves,the content sequence of the six trace elements was Fe＞Mn＞Zn＞Cu＞K＞Ca.In flowers and seeds it was Ca＞Fe＞Mn＞Zn＞Cu＞K,and Ca＞Fe＞Zn＞Mn＞Cu＞K,separately,and in roots it was Ca＞Fe＞Cu＞Mn＞Zn＞K.The stems,leaves,flowers and seeds are rich in Fe,whose content is higher than that in pork liver,Mn and Zn,but lower in Ca.The flowers,seeds and roots are especially rich in Ca,whose content is higher than that in bone,indicating that different parts of Scutellaria baicalensis may accumulate different mineral element.This study,for the first time,researched into Ca,Cu,Fe,Mn,Zn and K contents in different parts of Scutellaria baicalensis,which helps explain the multifunction of Scutellaria baicalensis and provides theoretical basis for further developing its medical and edible value.

Sodium tertitanate whisker is a new material for preconcentration.The adsorption properties of sodium trititanate whisker for Cd(Ⅱ) were studied and a new method for preconcentration and separation of Cd(Ⅱ) was proposed.The adsorption rate of Cd(Ⅱ) by sodium trititanate whisker was 98% at pH 5.0 and Cd(Ⅱ) could be eluted from sodium trititanate whisker with hydrochloric acid (C:0.1 mol·L-1).The Cd(Ⅱ) in environmental water was preconcentrated with sodium trititanate whisker and determined by flame atomic absorption spectrometry (FAAS).The detection limit (3σ,n=9) was 3.1 ng·L-1,and the relative standard deviation (RSD) was 2.6%.The response of proposed method is linear in the concentration range of 0.01-1.0 μg·mL-1 of Cd(Ⅱ).The method was applied to the determination of analytes in real samples,such as Changjiang River water,Canal water,Yudai River water etc.Good results were obtained (relative standard deviations were 1.5%-4.7%,while recoveries were 98%-102.0%).

In the present paper,uniform design U10(108) was used to optimize the condition of arsenic determination in vegetable samples by hydride generation-atomic fluorescence spectrometry.Mathematical model was established and regression analysis was done,and the optimized solutions to those equations were obtained by making use of the UD3.0 software.Combining the life-span of hollow cathode filament,noise of negative voltage and other factors,the optimal condition was obtained as follows:negative voltage was 280-360 V;lamp current was 50-70 mA;carrier gas flow rate was 500-700 mL·min-1;KBH4 concentration was 15.0-20.0 g·L-1;HCL concentration was 0.6-1.2 mol·L-1;sample size was 0.5-1.0 mL.Two samples of vegetable were analyzed under the optimized condition.The results showed that the relative standard deviation was less than 3.6%,and the recovery was within 94.1%-101.3%,with their detection limits of 0.42 μg·L-1.In this paper,as an effective method of experiment design,uniform design was introduced to hydride generation-atomic fluorescence spectrometry analysis with multi-factors,which offered a good idea for the optimization of experiment conditions.

Essential trace element selenium (Se) exerts its biological functions in vivo mainly through selenoproteins.Thus highly sensitive detection of Se-containing trace proteins is the key step toward the confirmation of selenoproteins predicted bioinformatically from genomes or separated electrophoretically in the study of selenoproteomics.This review mainly describes the principle of a new technique of laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS),which has been fast developed in recent years,and its application to the detection of Se in proteins separated by gel electrophoresis.The paper also summarizes the progress of mass spectrometry in the identification and characterization of Se-containing proteins after gel electrophoresis,including the detection of Se-containing peptides by ICP-MS hyphenated with either capillary high performance liquid chromatography or nano HPLC,the identification of Se-containing proteins by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry,and the characterization and confirmation of selenoproteins by nano HPLC-electrospray tandem mass spectrometry.Problems presented in those methods are also discussed in this paper for further study.

The present paper investigated phosphorus forms in the extracellular polymeric substances (EPS) using 31P-NMR spectroscopy,and analyzed the influential parameters for this method.The results showed that in the three investigated EPS samples five P forms were identified,including orthophosphate,orthophosphate monoesters,DNA,pyrophosphate and polyphosphate.And in the EPS extracted from A/A/O sludge and A/A/O-MBR sludge polyphosphate was the main phosphorus form.This indicated that P is contained in the EPS not only owing to the adsorption of orthophosphate,but also because EPS acting like the bacteria cells contributes to enhanced biological phosphorus removal. Furthermore the transformation of P forms in the EPS during the EPS extraction was found but limited within 1 h.It was found that with the NaOH solution added the polyphosphate in the EPS would partly convert to pyrophosphate but not go further to orthophosphate,while with pure water added P forms in the EPS were very stable.This means that after neutralization,the transformation of phosphorus forms could be avoided.Since the measurement of 31P-NMR spectroscopy was very sensitive to pH,which could affect the chemical shift of the peaks and cause peaks overlapping,the pH of EPS sample must be raised to 13.0 before the measurement.

The hydrolytic stability of Fe(a),Fe(b) and Fe(c) in different pH values of poly-ferric-flocculants was studied by using Fe-ferron time by time complexation colorimetry.The research results showed that Fe(b) was unstable,and all Fe(b) was transformed to Fe(c) after 10-15 d placement.The content of Fe(c) tended towards stability after 10-15 d.Also,the content of Fe(a) tended towards stability after 10 d.The single crystal was synthesized by the method of direct crystallization in Fe(Ⅲ)-SO2-4 water solution at normal temperature and its structure characteristic was studied by single crystal X ray diffraction method and IR (infrared spectrophotometry).The research results showed that there was no group of Fe—OH—Fe,Fe—OH and binary ferric complexed with two hydroxyl groups in the single crystal synthesized from the ferric aqueous solution in low pH(pH was about 0.5).The form of Fe in single crystal was all Fe(Ⅲ).The chemical formula of the single crystal was Fe(H2O)6(SO4)2NH4·6H2O when the ammonia water was used as the alkalinizing agent.One reason was that with the evaporation of water,these single crystals were synthesized at pH 0.5 despite of different initial pH and different initial alkalinizing agents.Another reason was that the hydrolysis distribution of ferric saline was unstable.Therefore,it was not easy to obtain the single crystal of Fe(Ⅲ)-hydroxy complexes or Fe(Ⅲ)-polymer at low pH value.The study showed that infrared spectrophotometry and single crystal X ray diffraction method have a good prospect in the research on hydrolysis distribution of flocculants.

X-ray photoelectron spectroscopy (XPS) was used to investigate the content and chemical valence of chromium element,and the content of compounds in chromate passive film formed on commercial tinplate via a cathodic electrolytical treatment.The effect of the content and chemical valence for different surface state was studied by using ultrasonic process.From the results,it was shown that there existed Cr,O and Sn in the passivation film.The chromium element in the film was mainly in the forms of Cr(OH)3,Cr2O3, and Cr in the natural surface.The Cr(Ⅵ) changed to lower value in the process of cathodic electrolytical treatment.A small quantity of Cr(Ⅵ) was found in the defective surface besides Cr(OH)3 and Cr2O3.The content of chromium element in the defective surface was lower than that in the natural surface.When ultrasonic process was added,the content of chromium element in the defective surface was obviously lower than that when no ultrasonic process was added.When ultrasonic process was used,the small quantity of Cr(Ⅵ) originally adsorbed on the defective surface disappeared because of the strong elution produced by ultrasonic.

The effect of catalyst atomic ratio on the performance of selective oxidation of p-xylene as a probe reaction over Mo-Fe catalysts prepared by sol-gel method was investigated.The catalyst evaluation results show that the optimum catalyst atomic ratio is n(Mo):n(Fe):n(Co)=2.4:1:0.02 with a high catalytic activity.The composition of the catalyst is Fe2(MoO4)3 and a little MoO3 having a cooperative effects during the oxidation of p-xylene,which was detected by XRD and FTIR.This study could provide experimental data for the technical reform of industry equipment.

It is one of the main goals in mankind's universe exploration to find unknown and particular celestial bodies.Data mining is an effective way of finding the spectrum data of unknown and particular celestial body in mass celestial body spectrum data.Constrained concept lattice,with characteristics of higher constructing efficiency,practicability and pertinency,is a new concept lattice structure.For local bias data of celestial body spectrum in characteristic subspace,the local outlier mining system of celestial body spectrum based on constrained concept lattice was designed and implemented by using VC++ 6.0 and Oracle 9i as developing tools.At the same time,its software architecture and function modules were outlined.Such key techniques for preprocessing celestial body spectrum data,the constructing method of constrained concept lattice,and the local outlier mining method were discussed in details.The running results show that the system is feasible and valuable for mining local bias data of celestial body spectrum in low dimensional characteristic subspace.Therefore,the system provides an effective means for finding the unknown and particular celestial bodies.

A new-style system that automatically measures the diffraction efficiency of plane reflection grating was designed.The continuous illuminant was adopted for illumination,the duplex grating spectrograph structure was applied,and the linear array NMOS was the receiving component.Wielding relevant principle of the grating spectrograph,theoretical analysis principle was carried out for the testing system.Integrating the aberration theory of geometrical optics,the image quality of this optics system was analyzed.Analysis indicated that the systematic device structure is compact,and electronics system is simplified.The system does not have the problem about wavelength sweep synchronization of the two grating spectrographs,and its wavelength repeatability is very good.So the precision is easy to guarantee.Compared with the former automated scheme,the production cost is reduced,moreover it is easy to operate,and the working efficiency is enhanced.The study showed that this automatic measurement instrument system features a spectral range of 190-1 100 nm and resolution is less than 3 nm,which entirely satisfies the design request.It is an economical and feasible plan.

A new deflection tomography was suggested and verified with a simulated flow field.The deflection programs for projection and inverse-projection were produced based on optical principle of refraction and mathematical,physical significance of tomography.With the authors’ home-made simple self-correlative algebraic reconstruction technique (SSART),the program system for the new deflection tomography was worked out and named Nonlinear Iteration Tomography Based on Deflection Spectra.A section of a complex flow field was simulated with Gauss function.The deflection spectra of a beam of parallel rays,as they passed through the field,were figured out according to the deflection program for projection,and the relative projections were acquired from the spectra.The section was reconstructed with the projections by SSART.The reconstructed result was compared with the model in order to test the deflection programs for validity.The reconstruction effect was scaled with mean-square error (MSE) and peak error (PE).As a result,with SSART,the deflection programs could be used to reconstruct the simulated field accurately.The MSE of reconstruction in this case was about 0.000 09 to 0.000 11 after 503 iterations,and PE was about 0.007 to 0.013.So,the program system,Nonlinear Iteration Tomography Based on Deflection Spectra,can accurately reconstruct complex flow fields based on deflection information.

Marine optical buoy is of important value in terms of calibration and validation of ocean color remote sensing,scientific observation,coastal environment monitoring,etc.A marine optical buoy system was designed which consists of a main and a slave buoy.The system can measure the distribution of irradiance and radiance over the sea surface,in the layer near sea surface and in the euphotic zone synchronously,during which some other parameters are also acquired such as spectral absorption and scattering coefficients of the water column,the velocity and direction of the wind,and so on.The buoy was positioned by GPS.The low-power integrated PC104 computer was used as the control core to collect data automatically.The data and commands were real-timely transmitted by CDMA/GPRS wireless networks or by the maritime satellite.The coastal marine experimentation demonstrated that the buoy has small pitch and roll rates in high sea state conditions and thus can meet the needs of underwater radiometric measurements,the data collection and remote transmission are reliable,and the auto-operated anti-biofouling devices can ensure that the optical sensors work effectively for a period of several months.

Fermi resonance is one of the general and important phenomena in vibration spectra.The method of solvent variation is one of the main methods to study Fermi resonance.In the present paper,FTIR spectroscopy was used to study the Fermi resonance of p-benzoquinone in thirteen solvents.The results show that there are some function relationships between the dielectric constant of solvent and the intensity ratio of Fermi resonance.And the empirical formula was obtained by curve fitting.The equation of Kirkwood-Bauer-Magat was applied to the study of Fermi resonance.And the authors obtained the relation between the intensity ratio R and the dielectric constant ε.This result is in accordance with the empirical formula.In order to confirm our result,the infrared data of R.A.Nyquist and J.K.Seehra were analyzed.These results are in accord with that of p-benzoquinone.

The present paper introduces the method of retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS).The authors measured ambient HCHO in Beijing region with the help of differential optical absorption spectroscopy instrument made by ourself,and discussed numerous factors in retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS),especially,the choice of HCHO wave band,how to avoid absorption of ambient SO2,NO2 and O 3,and the influence of the Xenon lamp spectrum structure on the absorption of ambient HCHO.The authors achieved the HCHO concentration by simultaneously retrieving the concentrations of HCHO,SO2,NO2 and O 3 with non-linear least square fitting method,avoiding the effect of choosing narrow wave of HCHO and the residual of SO2,NO2,O 3 and the Xenon lamp spectrum structure in retrieving process to attain the concentration of HCHO,Finally the authors analyzed the origin of error in retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS),and the total error is within 13.7% in this method.