Developing in situ spectroelectrochemistry methods,which can provide detailed information about species trans-formation during electrochemical reactions,is very important for studying electrode reaction mechanisms and...Developing in situ spectroelectrochemistry methods,which can provide detailed information about species trans-formation during electrochemical reactions,is very important for studying electrode reaction mechanisms and improving battery performance.Studying real-time changes in the surface of electrode materials during normal operation can be an effective way to assess and optimize the practical performance of electrode materials,thus,in situ and in operando characterization techniques are particularly important.However,batteries are hard to be studied by in situ characterization measurements due to their hermetically sealed shells,and there is still much room for battery characterizations.In this work,a specially designed battery based on the structure of coin cells,whose upper cover was transparent,was constructed.With such a device,acquisition of diffuse reflectance spectra of electrode materials during charging and discharging was realized.This not only provided a simple measurement accessory for diffuse reflectance spectroscopy(DRS),but also complemented in situ characterization techniques for batteries.Taking commonly used cathode materials in lithium-ion batteries(LIBs),including LiFePO_(4)(LFP),NCM811 and LiCoO_(2)(LCO)as examples,we managed tofind out the response relationships of different electrode materials to visible light of different wavelengths under ordinary reflectance illumination conditions.Heterogeneity of different cathode ma-terials on interaction relationships with the lights of different wavelengths was also revealed.This work demonstrated the capability of guiding wavelength selection for different materials and assessing electrochemical performances of in situ diffuse reflectance spectroelectrochemistry.By combining electrochemistry with diffuse reflectance spectroscopy,this work made an effective complementary for spectroelectrochemistry.展开更多
[Objective] This study was conducted to establish a near-infrared diffuse reflectance spectroscopy of Guizhou Aspidistra plants. [Method] Twenty three batch- es of Guizhou Aspidistra plants including A. chishuiensis, ...[Objective] This study was conducted to establish a near-infrared diffuse reflectance spectroscopy of Guizhou Aspidistra plants. [Method] Twenty three batch- es of Guizhou Aspidistra plants including A. chishuiensis, A. spinula, A. Caespitosa, A. sichuanensis, A. ebianensis, A. retusa, A. guizhouensis and A. liboensis were subjected to drying, pulverization and sieving and then directly determined for near- infrared reflectance spectrums; and the plants in this genus were classified by clus- ter analysis and principal component analysis （PCA）. [Result] The near-infrared re- flectance spectrums of the 23 batches of Guizhou Aspidistra plants showed very high similarity. The spectrums were processed by first derivative method, and the spectral range of 4 000-7 500 cm-1 was selected as the analytical range. Cluster analysis and PCA were employed to mass spectrum variables of plants in Aspidis- tra, fewer new variables became the linear combination of primary variables, and small differences between different varieties were enlarged, thereby facilitating intu- itive classification of plants in this genus. [Conclusion] Near-infrared diffuse re- flectance spectroscopy is nondestructive and rapid for determination of solid sam- pies, and provides a new method for the classification of Guizhou Aspidistra plants combined by information processing techniques.展开更多
[Objective] The aim was to build an evaluation method rapidly identifying wheat drought tolerance with near infrared diffuse reflectance spectroscopy. [Method] In the research, 36 wheat varieties in 2007-2009 were cho...[Objective] The aim was to build an evaluation method rapidly identifying wheat drought tolerance with near infrared diffuse reflectance spectroscopy. [Method] In the research, 36 wheat varieties in 2007-2009 were chosen and drought-tolerance degrees of wheat were graded and identified according to Winter-wheat Drought Tol- erance Evaluation Technical Standards （GB/T 21127-2007）, and harvest wheat grains underwent spectrum collection, with a full-spectrum analyzer, to establish a database. [Result] Based on qualitative analysis and full-spectrum correlation research, the coef- ficient of determination （RSQ） and cross-validation coefficient of determination （1-VR） were concluded at 0.697 5 and 0.600 2, showing near-infrared diffuse reflectance spectroscopy is of significant differences among wheat varieties and of significant or extremely significant correlation with drought-tolerance indices. [Conclusion] The re- search indicates that to evaluate drought-tolerance of wheat with near-infrared diffuse reflectance spectroscopy is a rapid and feasible way, which is simple, convenient without damages on grains, and of practical values for construction wheat drought-tol- erance evaluation index system and identification of breeding materials.展开更多
In the present study,we synthesized CeO2 catalysts doped with various transition metals(M=Co,Fe,or Cu)using a supercritical water hydrothermal route,which led to the incorporation of the metal ions in the CeO2 lattice...In the present study,we synthesized CeO2 catalysts doped with various transition metals(M=Co,Fe,or Cu)using a supercritical water hydrothermal route,which led to the incorporation of the metal ions in the CeO2 lattice,forming solid solutions.The catalysts were then used for the selective catalytic reduction(SCR)of NO by CO.The Cu‐doped catalyst exhibited the highest SCR activity;it had a T50(i.e.,50%NO conversion)of only 83°C and a T90(i.e.,90%NO conversion)of 126°C.Such an activity was also higher than in many state‐of‐the‐art catalysts.In situ diffuse reflectance Fourier transform infrared spectroscopy suggested that the MOx‐CeO2 catalysts(M=Co and Fe)mainly followed an Eley‐Rideal reaction mechanism for CO‐SCR.In contrast,a Langmuir‐Hinshelwood SCR reaction mechanism occurred in CuO‐CeO2 owing to the presence of Cu+species,which ensured effective adsorption of CO.This explains why CuO‐CeO2 exhibited the highest activity with regard to the SCR of NO by CO.展开更多
Partial least squares（PLS）,back-propagation neural network（BPNN）and radial basis function neural network（RBFNN）were respectively used for estalishing quantative analysis models with near infrared（NIR）diffuse r...Partial least squares（PLS）,back-propagation neural network（BPNN）and radial basis function neural network（RBFNN）were respectively used for estalishing quantative analysis models with near infrared（NIR）diffuse reflectance spectra for determining the contents of rifampincin（RMP）,isoniazid（INH）and pyrazinamide（PZA）in rifampicin isoniazid and pyrazinamide tablets.Savitzky-Golay smoothing,first derivative,second derivative,fast Fourier transform（FFT）and standard normal variate（SNV）transformation methods were applied to pretreating raw NIR diffuse reflectance spectra.The raw and pretreated spectra were divided into several regions,depending on the average spectrum and RSD spectrum.Principal component analysis（PCA）method was used for analyzing the raw and pretreated spectra in different regions in order to reduce the dimensions of input data.The optimum spectral regions and the models＇ parameters were chosen by comparing the root mean square error of cross-validation（RMSECV）values which were obtained by leave-one-out cross-validation method.The RMSECV values of the RBFNN models for determining the contents of RMP,INH and PZA were 0.00288,0.00226 and 0.00341,respectively.Using these models for predicting the contents of INH,RMP and PZA in prediction set,the RMSEP values were 0.00266,0.00227 and 0.00411,respectively.These results are better than those obtained from PLS models and BPNN models.With additional advantages of fast calculation speed and less dependence on the initial conditions,RBFNN is a suitable tool to model complex systems.展开更多
[Objective] This study aimed to establish an identification system for drought-resistance in wheat by using near-infrared diffuse reflectance spectroscopy. [Method] In 2006-2007, 36 wheat varieties with different drou...[Objective] This study aimed to establish an identification system for drought-resistance in wheat by using near-infrared diffuse reflectance spectroscopy. [Method] In 2006-2007, 36 wheat varieties with different drought resistance were selected and were classified according to their drought resistance grades determined by the Technical Specification of Identification and Evaluation for Drought Resistance in Wheat （GB/T 21127-2007）. In addition, the harvested wheat seed samples were spectrally analyzed with FOSS NIRSystems5000 near-infrared spectrum analyzer for grain quality （full spectrum analyzer） and then the forecasted regression equations were established. [Result] After the establishment of a database and validation, dis- criminated functions were obtained. The determination coefficient （RSQ） and coeffi- cients of determination for cross validation （1-VR） in the discriminant function built with seed samples from water stress area were 0.846 0 and 0.781 8, respectively, which indicated that the consistency between drought resistance and spectral charac- teristics in wheat varieties was good, and there was high correlation between the near-infrared diffuse reflectance spectra of seeds and the drought resistance in wheat. [Conclusiou] Under water stress condition, it is feasible to establish a conve- nient, rapid and no-damage identification system for the drought resistance in wheat by using the near-infrared diffuse reflectance spectrum technique to scan wheat seeds.展开更多
Emerald is a green(Cr-bearing)variety of beryl.It has also been one of the highest value and highly demanded gemstones in the world.For this reason,the methods for synthesis emerald(i.e.,hydrothermal,flux grown)have b...Emerald is a green(Cr-bearing)variety of beryl.It has also been one of the highest value and highly demanded gemstones in the world.For this reason,the methods for synthesis emerald(i.e.,hydrothermal,flux grown)have been constantly developed.In many cases,it is hard to distinguish the natural emerald from the synthetic one using the basic instruments.Therefore,with the advantage of non-destructive technique,the infrared spectroscopy has been efficiently applied for the task.In this study,to find the potential technique in FTIR spectroscopy for classifying between natural and synthetic emerald(hydrothermal and flux-grown),the observed spectra from the Attenuated Total Reflectance Radiation(ATR),Diffuse Reflectance(DRIFT),transflectance,and specular reflection techniques were compared.The result showed that the spectra obtained from the transflectance and the DRIFT techniques were similar with equal spectral qualities.Unlike the diffuse reflectance spectra,the transflectance spectra were not affected by the sample orientations.The spectral features associated with water molecule in the crystal structure were clearly observed in both the DRIFT and transflectance spectra.Although the spectral features associated with weak absorption bands of water were not observed in both the DRIFT and transflectance spectra,the position of strong absorption band at 3 800-3 500 cm^(-1) and 1 635 cm^(-1) could be detected in the ATR spectra.In addition,the lack of absorption of water between 4 000 and 3 400 cm^(-1) in flux-grown emerald samples is the clue to separate it from the natural and hydrothermal one.In the meantime,the absence of the strong absorption peaks between 2 300 and 1 400 cm^(-1) in hydrothermal emerald can differentiate it from the natural one.展开更多
We developed a novel method for real-time monitoring of alteration of the local epithelium vessel/capillary and blood oxygenation spatial pattern in epithelium exploiting a compact fibre sensor system based on spatial...We developed a novel method for real-time monitoring of alteration of the local epithelium vessel/capillary and blood oxygenation spatial pattern in epithelium exploiting a compact fibre sensor system based on spatially and spectrally resolved diffuse reflectance.The method is based on collection of spatially resolved diffuse reflectance Re(λ)by fiber sensors.The spatial resolution is provided as a dependence of Re(λ)on a set of distancesρbetween the source and detector(attenuation curve).It is expected that the new method can reasonably extract the minor spatial deviations of oxygenation and local blood volume fraction-parameters,directly related to the local vessel density and capillary spatial patterns in the epithelium.Light scattering in visible range is naturally taken into account in the proposed method.展开更多
This study investigated the development of a novel approach to surface characterization of drug poly- morphism and the extension of the capabilities of this method to perform ＇real time＇ in situ measure- ments. This...This study investigated the development of a novel approach to surface characterization of drug poly- morphism and the extension of the capabilities of this method to perform ＇real time＇ in situ measure- ments. This was achieved using diffuse reflectance visible （DRV） spectroscopy and dye deposition, using the pH sensitive dye, thymol blue （TB）. Two polymorphs, SFN-β and SFN-γ, of the drug substance sulfanilamide （SFN） were examined. The interaction of adsorbed dye with polymorphs showed different behavior, and thus reported different DRV spectra. Consideration of the acid/base properties of the morphological forms of the drug molecule provided a rationalization of the mechanism of differential coloration by indicator dyes. The kinetics of the polymorphic transformation of SFN polymorphs was monitored using treatment with TB dye and DRV spectroscopy. The thermally-induced transformation fitted a first-order solid-state kinetic model （R2=0.992）, giving a rate constant of 2.43 × 10^- 2 s 1.展开更多
In this paper,the Fourier transform near-infrared(FTNIR)diffuse reflectance spectroscopy is applied for the rapid determination of protein in millet.The partial least-squares(PLS)regression is successfully used as an ...In this paper,the Fourier transform near-infrared(FTNIR)diffuse reflectance spectroscopy is applied for the rapid determination of protein in millet.The partial least-squares(PLS)regression is successfully used as an effective multivariate calibration technique.The calibration set is composed of 20 standard millet samples that the protein contents were determined by the traditional Kjeldahl method.The optimal model dimension is found to be 5 by cross-validation.22 millet samples were determined by the proposed FTNIR-PLS method.The correlation coefficient between the concentration values obtained by the FTNIR-PLS method and the traditional Kjeldahl method is 0.9805.The standard error of prediction(SEP)is 0.28% and the mean recovery is 100.2%.The proposed method has been successfully applied for the routine analysis of protein in about 10,000 grain samples.展开更多
In this study, we focused on diffuse reflectance spectroscopy, a rapid and noninvasive spectroscopy technique that has considerable potential for medical diagnosis. In order to better understand and analyze the signal...In this study, we focused on diffuse reflectance spectroscopy, a rapid and noninvasive spectroscopy technique that has considerable potential for medical diagnosis. In order to better understand and analyze the signals induced by this method, we performed a series of in vivo measurements on healthy and diseased skin. Measurement sites on a human hand and feet were chosen. Some preliminary results obtained on these sites show the feasibility of this technique in clinics.展开更多
Pookot is a small freshwater lake situated in the Sahyadri(the Western Ghat)of southern India.We used diffuse reflectance spectroscopy(DRS)and magnetic parameters to characterize the sediment components present in a c...Pookot is a small freshwater lake situated in the Sahyadri(the Western Ghat)of southern India.We used diffuse reflectance spectroscopy(DRS)and magnetic parameters to characterize the sediment components present in a core dating back to~3000 cal.years B.P.DRS data indicate the presence of CaCO_(3),goethite,hematite/goethite,clay minerals and organic carbon in the lake sediments.Based on the down-core variations of the four components,and the values ofχlf(low-field magnetic susceptibility indicative of detrital magnetite)and DRS parameter redness%,we reconstructed the paleoenvironmental history of the region surrounding the lake.展开更多
In this paper, the propagation characteristics of near-infrared (NIR) light in the palm tissue are analyzed, and the principle and feasibility of using transcutaneous diffuse reflectance spectroscopy for non-invasive ...In this paper, the propagation characteristics of near-infrared (NIR) light in the palm tissue are analyzed, and the principle and feasibility of using transcutaneous diffuse reflectance spectroscopy for non-invasive blood glucose detection are presented. An optical probe suitable for measuring the diffuse reflectance spectrum of human palm and a non-invasive blood glucose detection system using NIR spectroscopy are designed. Based on this system, oral glucose tolerance tests are performed to measure the blood glucose concentrations of two young healthy volunteers. The partial least square calibration model is then constructed by all individual experimental data. The final result shows that correlation coefficients of the two experiments between the predicted blood glucose concentrations and the reference blood glucose concentrations are 0.9870 and 0.9854, respectively. The root mean square errors of prediction of full cross validation are 0.54 and 0.52 mmol/1, respectively.展开更多
To develop near-infrared （NIR） reflectance spectroscopic methods for the quantitative analysis of cefoperazone sodium/ sulbactam sodium from different manufacturers for injection powder medicaments. Various powders ...To develop near-infrared （NIR） reflectance spectroscopic methods for the quantitative analysis of cefoperazone sodium/ sulbactam sodium from different manufacturers for injection powder medicaments. Various powders of cefoperazone sodium/ sulbactam sodium were directly analyzed by non-destructive NIR reflectance spectroscopy using the spectrometer EQUINOX55. Two quantitative methods via integrating sphere （IS） and fiberoptic probe （FOP） models were explored from 6 batches of commercial samples and 42 batches of laboratory samples at a content ranging from 30% to 70% for cefoperazone and 60% to 20% for sulbactam. The root mean square errors of cross validation （RMSECV） and the root mean square errors of prediction （RMSEP） of IS were 1.79% and 2.85%, respectively, for cefoperazone sodium, and were 1.86% and 3.08%, respectively, for sulbactam sodium; and those of FOP were 2.93% and 2.92%, respectively, for cefoperazone sodium, and were 2.23% and 3.01%, respectively, for sulbactam sodium. Based on the ICH guidelines and Ref. 12, the quantitative models were then evaluated in terms of specificity, linearity, accuracy, precision, robustness and model transferability. The non-destructive quantitative NIR methods used in this study are applicable for rapid analysis of injectable powdered drugs from different manufacturers.展开更多
Fructus cnidii （Chinese name shechuangzi） is the fruit produced by Cnidium monnieri （L.） Cusson （Umbelliferae）. It is a perennial herb that is used to treat skin-related diseases and gynecopathyell. Recent pharm...Fructus cnidii （Chinese name shechuangzi） is the fruit produced by Cnidium monnieri （L.） Cusson （Umbelliferae）. It is a perennial herb that is used to treat skin-related diseases and gynecopathyell. Recent pharmacological studies have revealed crude extracts or components isolated from fructus cnidii possess antiallergic, antipruritic, antidermatophytic, antibacterial, antifungal, and antiosteoporotic activities. Osthole and imperatorin are the major compounds present in shechuangzi. They are often used as standards for the evaluation of the quality of shechuangzi products.展开更多
This review report represents an overview of research and development on medical hyperspectral imaging technology and its applications.Spectral imaging technology is attracting attention as a new imaging modality for ...This review report represents an overview of research and development on medical hyperspectral imaging technology and its applications.Spectral imaging technology is attracting attention as a new imaging modality for medical applications,especially in disease diagnosis and image-guided surgery.Considering the recent advances in imaging,this technology provides an opportunity for twodimensional mapping of oxygen saturation(SatO2)of blood with high accuracy,spatial spectral imaging,and its analysis and provides detection and diagnostic information about the tissue physiology and morphology.Multispectral imaging also provides information about tissue oxygenation,perfusion,and potential function during surgery.Analytical algorithm has been examined,and indication of accurate map of relative hemoglobin concentration and SatO2 can be indicated with preferable resolution and frame rate.This technology is expected to provide promising biomedical information in practical use.Several studies suggested that blood flow and SatO2 are associated with gastrointestinal disorders,particularly malignant tumor conditions.The use and analysis of spectroscopic images are expected to potentially play a role in the detection and diagnosis of these diseases.展开更多
Two kinds of nanopowders were studied.One is NiFe 2O 4 spherical nanopowders which have different particle sizes.Another is ZnO nanopowders including two series of spherical particles and tetrapod nanowhiskers.Throu...Two kinds of nanopowders were studied.One is NiFe 2O 4 spherical nanopowders which have different particle sizes.Another is ZnO nanopowders including two series of spherical particles and tetrapod nanowhiskers.Through measuring the infrared diffuse reflection spectra of nanopowders,it can be found that the particle size and morphology affect the infrared diffuse reflection spectra.For the NiFe 2O 4 nanopowders the smaller the particle size,the larger the K-M value.And when the particle size is large enough,the effect of the particle size on infrared diffuse reflection spectra would disappear.For the ZnO nanopowders the effects of the particle size and morphology are more special.The effect of the particle sizes of tetrapod whisker nanopowders on infrared diffuse reflection spectra is more than that of spherical nanopowders.展开更多
The excitation and emission spectra, the relaxation time of principal spectral lines and multi-diffused reflection spectra in LaOCl: Er, LaOCl: Ho powder samples were measured. The diffused absorption spectrum was der...The excitation and emission spectra, the relaxation time of principal spectral lines and multi-diffused reflection spectra in LaOCl: Er, LaOCl: Ho powder samples were measured. The diffused absorption spectrum was derived from the multi-diffused reflection spectrum. According to Judd-Ofelt theory,the intensity parameters, radiative transition probabilities and quantum efficiencies of luminescence emission were calculated. Then comparison with erbium and holmium doped floride glass and other matrices were made.展开更多
SrAl 2O 4∶Eu was adopted as main phase to prepare the ceramic pumping cavity material with ultraviolet(UV) converting function in order to match with laser absorption spectra. The relationship between SrAl 2O 4∶...SrAl 2O 4∶Eu was adopted as main phase to prepare the ceramic pumping cavity material with ultraviolet(UV) converting function in order to match with laser absorption spectra. The relationship between SrAl 2O 4∶Eu powder processing and fluorescence effect was studied. The glass material with lower refractive index was added to the SrAl 2O 4∶Eu based ceramics. The diffusive reflectivity and the influence of fluorescence effect on reflection spectra of the ceramics were investigated. Some experimental results can be used for evaluating technical feasibility of the SrAl 2O 4∶Eu based ceramics used for laser reflectors.展开更多
基金the financial support from the National Natural Science Foundation of China (No. 21925403)the Excellent Research Program of Nanjing University (Grant No. ZYJH004)。
文摘Developing in situ spectroelectrochemistry methods,which can provide detailed information about species trans-formation during electrochemical reactions,is very important for studying electrode reaction mechanisms and improving battery performance.Studying real-time changes in the surface of electrode materials during normal operation can be an effective way to assess and optimize the practical performance of electrode materials,thus,in situ and in operando characterization techniques are particularly important.However,batteries are hard to be studied by in situ characterization measurements due to their hermetically sealed shells,and there is still much room for battery characterizations.In this work,a specially designed battery based on the structure of coin cells,whose upper cover was transparent,was constructed.With such a device,acquisition of diffuse reflectance spectra of electrode materials during charging and discharging was realized.This not only provided a simple measurement accessory for diffuse reflectance spectroscopy(DRS),but also complemented in situ characterization techniques for batteries.Taking commonly used cathode materials in lithium-ion batteries(LIBs),including LiFePO_(4)(LFP),NCM811 and LiCoO_(2)(LCO)as examples,we managed tofind out the response relationships of different electrode materials to visible light of different wavelengths under ordinary reflectance illumination conditions.Heterogeneity of different cathode ma-terials on interaction relationships with the lights of different wavelengths was also revealed.This work demonstrated the capability of guiding wavelength selection for different materials and assessing electrochemical performances of in situ diffuse reflectance spectroelectrochemistry.By combining electrochemistry with diffuse reflectance spectroscopy,this work made an effective complementary for spectroelectrochemistry.
基金Supported by National Natural Science Foundation of China(81360623)~~
文摘[Objective] This study was conducted to establish a near-infrared diffuse reflectance spectroscopy of Guizhou Aspidistra plants. [Method] Twenty three batch- es of Guizhou Aspidistra plants including A. chishuiensis, A. spinula, A. Caespitosa, A. sichuanensis, A. ebianensis, A. retusa, A. guizhouensis and A. liboensis were subjected to drying, pulverization and sieving and then directly determined for near- infrared reflectance spectrums; and the plants in this genus were classified by clus- ter analysis and principal component analysis （PCA）. [Result] The near-infrared re- flectance spectrums of the 23 batches of Guizhou Aspidistra plants showed very high similarity. The spectrums were processed by first derivative method, and the spectral range of 4 000-7 500 cm-1 was selected as the analytical range. Cluster analysis and PCA were employed to mass spectrum variables of plants in Aspidis- tra, fewer new variables became the linear combination of primary variables, and small differences between different varieties were enlarged, thereby facilitating intu- itive classification of plants in this genus. [Conclusion] Near-infrared diffuse re- flectance spectroscopy is nondestructive and rapid for determination of solid sam- pies, and provides a new method for the classification of Guizhou Aspidistra plants combined by information processing techniques.
基金Supported by National Wheat Industry System(CARS-E-2-36)Henan Wheat Industry System(S2010-10-02)National Science and Technology Support Plan(2011BAD35B-03)~~
文摘[Objective] The aim was to build an evaluation method rapidly identifying wheat drought tolerance with near infrared diffuse reflectance spectroscopy. [Method] In the research, 36 wheat varieties in 2007-2009 were chosen and drought-tolerance degrees of wheat were graded and identified according to Winter-wheat Drought Tol- erance Evaluation Technical Standards （GB/T 21127-2007）, and harvest wheat grains underwent spectrum collection, with a full-spectrum analyzer, to establish a database. [Result] Based on qualitative analysis and full-spectrum correlation research, the coef- ficient of determination （RSQ） and cross-validation coefficient of determination （1-VR） were concluded at 0.697 5 and 0.600 2, showing near-infrared diffuse reflectance spectroscopy is of significant differences among wheat varieties and of significant or extremely significant correlation with drought-tolerance indices. [Conclusion] The re- search indicates that to evaluate drought-tolerance of wheat with near-infrared diffuse reflectance spectroscopy is a rapid and feasible way, which is simple, convenient without damages on grains, and of practical values for construction wheat drought-tol- erance evaluation index system and identification of breeding materials.
文摘In the present study,we synthesized CeO2 catalysts doped with various transition metals(M=Co,Fe,or Cu)using a supercritical water hydrothermal route,which led to the incorporation of the metal ions in the CeO2 lattice,forming solid solutions.The catalysts were then used for the selective catalytic reduction(SCR)of NO by CO.The Cu‐doped catalyst exhibited the highest SCR activity;it had a T50(i.e.,50%NO conversion)of only 83°C and a T90(i.e.,90%NO conversion)of 126°C.Such an activity was also higher than in many state‐of‐the‐art catalysts.In situ diffuse reflectance Fourier transform infrared spectroscopy suggested that the MOx‐CeO2 catalysts(M=Co and Fe)mainly followed an Eley‐Rideal reaction mechanism for CO‐SCR.In contrast,a Langmuir‐Hinshelwood SCR reaction mechanism occurred in CuO‐CeO2 owing to the presence of Cu+species,which ensured effective adsorption of CO.This explains why CuO‐CeO2 exhibited the highest activity with regard to the SCR of NO by CO.
基金Supported by the Science Technology Development Project of Jilin Province,China(No.20020503-2).
文摘Partial least squares（PLS）,back-propagation neural network（BPNN）and radial basis function neural network（RBFNN）were respectively used for estalishing quantative analysis models with near infrared（NIR）diffuse reflectance spectra for determining the contents of rifampincin（RMP）,isoniazid（INH）and pyrazinamide（PZA）in rifampicin isoniazid and pyrazinamide tablets.Savitzky-Golay smoothing,first derivative,second derivative,fast Fourier transform（FFT）and standard normal variate（SNV）transformation methods were applied to pretreating raw NIR diffuse reflectance spectra.The raw and pretreated spectra were divided into several regions,depending on the average spectrum and RSD spectrum.Principal component analysis（PCA）method was used for analyzing the raw and pretreated spectra in different regions in order to reduce the dimensions of input data.The optimum spectral regions and the models＇ parameters were chosen by comparing the root mean square error of cross-validation（RMSECV）values which were obtained by leave-one-out cross-validation method.The RMSECV values of the RBFNN models for determining the contents of RMP,INH and PZA were 0.00288,0.00226 and 0.00341,respectively.Using these models for predicting the contents of INH,RMP and PZA in prediction set,the RMSEP values were 0.00266,0.00227 and 0.00411,respectively.These results are better than those obtained from PLS models and BPNN models.With additional advantages of fast calculation speed and less dependence on the initial conditions,RBFNN is a suitable tool to model complex systems.
基金Supported by the Special Fund for the Industrial Technology System Construction of Modern Agriculture in Wheat(CARS-E-2-36)the Special Fund for Henan Industrial Technology System Construction of Modern Agriculture in Wheat(S2010-10-02)National Support Program for Science and Technology(2011BAD35B03)~~
文摘[Objective] This study aimed to establish an identification system for drought-resistance in wheat by using near-infrared diffuse reflectance spectroscopy. [Method] In 2006-2007, 36 wheat varieties with different drought resistance were selected and were classified according to their drought resistance grades determined by the Technical Specification of Identification and Evaluation for Drought Resistance in Wheat （GB/T 21127-2007）. In addition, the harvested wheat seed samples were spectrally analyzed with FOSS NIRSystems5000 near-infrared spectrum analyzer for grain quality （full spectrum analyzer） and then the forecasted regression equations were established. [Result] After the establishment of a database and validation, dis- criminated functions were obtained. The determination coefficient （RSQ） and coeffi- cients of determination for cross validation （1-VR） in the discriminant function built with seed samples from water stress area were 0.846 0 and 0.781 8, respectively, which indicated that the consistency between drought resistance and spectral charac- teristics in wheat varieties was good, and there was high correlation between the near-infrared diffuse reflectance spectra of seeds and the drought resistance in wheat. [Conclusiou] Under water stress condition, it is feasible to establish a conve- nient, rapid and no-damage identification system for the drought resistance in wheat by using the near-infrared diffuse reflectance spectrum technique to scan wheat seeds.
文摘Emerald is a green(Cr-bearing)variety of beryl.It has also been one of the highest value and highly demanded gemstones in the world.For this reason,the methods for synthesis emerald(i.e.,hydrothermal,flux grown)have been constantly developed.In many cases,it is hard to distinguish the natural emerald from the synthetic one using the basic instruments.Therefore,with the advantage of non-destructive technique,the infrared spectroscopy has been efficiently applied for the task.In this study,to find the potential technique in FTIR spectroscopy for classifying between natural and synthetic emerald(hydrothermal and flux-grown),the observed spectra from the Attenuated Total Reflectance Radiation(ATR),Diffuse Reflectance(DRIFT),transflectance,and specular reflection techniques were compared.The result showed that the spectra obtained from the transflectance and the DRIFT techniques were similar with equal spectral qualities.Unlike the diffuse reflectance spectra,the transflectance spectra were not affected by the sample orientations.The spectral features associated with water molecule in the crystal structure were clearly observed in both the DRIFT and transflectance spectra.Although the spectral features associated with weak absorption bands of water were not observed in both the DRIFT and transflectance spectra,the position of strong absorption band at 3 800-3 500 cm^(-1) and 1 635 cm^(-1) could be detected in the ATR spectra.In addition,the lack of absorption of water between 4 000 and 3 400 cm^(-1) in flux-grown emerald samples is the clue to separate it from the natural and hydrothermal one.In the meantime,the absence of the strong absorption peaks between 2 300 and 1 400 cm^(-1) in hydrothermal emerald can differentiate it from the natural one.
基金The authors gratefully acknowledge funding of the Erlangen Graduate School in Advanced Optical Technologies(SAOT)by the German National Science Foundation(DFG)in the framework of the excellence initiative for support of this study.
文摘We developed a novel method for real-time monitoring of alteration of the local epithelium vessel/capillary and blood oxygenation spatial pattern in epithelium exploiting a compact fibre sensor system based on spatially and spectrally resolved diffuse reflectance.The method is based on collection of spatially resolved diffuse reflectance Re(λ)by fiber sensors.The spatial resolution is provided as a dependence of Re(λ)on a set of distancesρbetween the source and detector(attenuation curve).It is expected that the new method can reasonably extract the minor spatial deviations of oxygenation and local blood volume fraction-parameters,directly related to the local vessel density and capillary spatial patterns in the epithelium.Light scattering in visible range is naturally taken into account in the proposed method.
文摘This study investigated the development of a novel approach to surface characterization of drug poly- morphism and the extension of the capabilities of this method to perform ＇real time＇ in situ measure- ments. This was achieved using diffuse reflectance visible （DRV） spectroscopy and dye deposition, using the pH sensitive dye, thymol blue （TB）. Two polymorphs, SFN-β and SFN-γ, of the drug substance sulfanilamide （SFN） were examined. The interaction of adsorbed dye with polymorphs showed different behavior, and thus reported different DRV spectra. Consideration of the acid/base properties of the morphological forms of the drug molecule provided a rationalization of the mechanism of differential coloration by indicator dyes. The kinetics of the polymorphic transformation of SFN polymorphs was monitored using treatment with TB dye and DRV spectroscopy. The thermally-induced transformation fitted a first-order solid-state kinetic model （R2=0.992）, giving a rate constant of 2.43 × 10^- 2 s 1.
文摘In this paper,the Fourier transform near-infrared(FTNIR)diffuse reflectance spectroscopy is applied for the rapid determination of protein in millet.The partial least-squares(PLS)regression is successfully used as an effective multivariate calibration technique.The calibration set is composed of 20 standard millet samples that the protein contents were determined by the traditional Kjeldahl method.The optimal model dimension is found to be 5 by cross-validation.22 millet samples were determined by the proposed FTNIR-PLS method.The correlation coefficient between the concentration values obtained by the FTNIR-PLS method and the traditional Kjeldahl method is 0.9805.The standard error of prediction(SEP)is 0.28% and the mean recovery is 100.2%.The proposed method has been successfully applied for the routine analysis of protein in about 10,000 grain samples.
文摘In this study, we focused on diffuse reflectance spectroscopy, a rapid and noninvasive spectroscopy technique that has considerable potential for medical diagnosis. In order to better understand and analyze the signals induced by this method, we performed a series of in vivo measurements on healthy and diseased skin. Measurement sites on a human hand and feet were chosen. Some preliminary results obtained on these sites show the feasibility of this technique in clinics.
基金The magnetic instruments used in this study were procured from grants made available by the erstwhile Department of Ocean Development(now Ministry of Earth Sciences),Government of India,through a research project(DOD/11-MRDF/1/48/P/94-ODII/12-10-96)to RS.
文摘Pookot is a small freshwater lake situated in the Sahyadri(the Western Ghat)of southern India.We used diffuse reflectance spectroscopy(DRS)and magnetic parameters to characterize the sediment components present in a core dating back to~3000 cal.years B.P.DRS data indicate the presence of CaCO_(3),goethite,hematite/goethite,clay minerals and organic carbon in the lake sediments.Based on the down-core variations of the four components,and the values ofχlf(low-field magnetic susceptibility indicative of detrital magnetite)and DRS parameter redness%,we reconstructed the paleoenvironmental history of the region surrounding the lake.
基金This work was supported by the National Natural Science Foundation of China (No. 30170261)the Natural Science Foundation of Tianjin (No. 023800411).
文摘In this paper, the propagation characteristics of near-infrared (NIR) light in the palm tissue are analyzed, and the principle and feasibility of using transcutaneous diffuse reflectance spectroscopy for non-invasive blood glucose detection are presented. An optical probe suitable for measuring the diffuse reflectance spectrum of human palm and a non-invasive blood glucose detection system using NIR spectroscopy are designed. Based on this system, oral glucose tolerance tests are performed to measure the blood glucose concentrations of two young healthy volunteers. The partial least square calibration model is then constructed by all individual experimental data. The final result shows that correlation coefficients of the two experiments between the predicted blood glucose concentrations and the reference blood glucose concentrations are 0.9870 and 0.9854, respectively. The root mean square errors of prediction of full cross validation are 0.54 and 0.52 mmol/1, respectively.
基金National Key Technologies R&D Program Foundation of China (Grant No. 2006BAK04A11)
文摘To develop near-infrared （NIR） reflectance spectroscopic methods for the quantitative analysis of cefoperazone sodium/ sulbactam sodium from different manufacturers for injection powder medicaments. Various powders of cefoperazone sodium/ sulbactam sodium were directly analyzed by non-destructive NIR reflectance spectroscopy using the spectrometer EQUINOX55. Two quantitative methods via integrating sphere （IS） and fiberoptic probe （FOP） models were explored from 6 batches of commercial samples and 42 batches of laboratory samples at a content ranging from 30% to 70% for cefoperazone and 60% to 20% for sulbactam. The root mean square errors of cross validation （RMSECV） and the root mean square errors of prediction （RMSEP） of IS were 1.79% and 2.85%, respectively, for cefoperazone sodium, and were 1.86% and 3.08%, respectively, for sulbactam sodium; and those of FOP were 2.93% and 2.92%, respectively, for cefoperazone sodium, and were 2.23% and 3.01%, respectively, for sulbactam sodium. Based on the ICH guidelines and Ref. 12, the quantitative models were then evaluated in terms of specificity, linearity, accuracy, precision, robustness and model transferability. The non-destructive quantitative NIR methods used in this study are applicable for rapid analysis of injectable powdered drugs from different manufacturers.
基金Supported by the Talented Young Pressional Foundation of Jilin Province(No 2005123)
文摘Fructus cnidii （Chinese name shechuangzi） is the fruit produced by Cnidium monnieri （L.） Cusson （Umbelliferae）. It is a perennial herb that is used to treat skin-related diseases and gynecopathyell. Recent pharmacological studies have revealed crude extracts or components isolated from fructus cnidii possess antiallergic, antipruritic, antidermatophytic, antibacterial, antifungal, and antiosteoporotic activities. Osthole and imperatorin are the major compounds present in shechuangzi. They are often used as standards for the evaluation of the quality of shechuangzi products.
文摘This review report represents an overview of research and development on medical hyperspectral imaging technology and its applications.Spectral imaging technology is attracting attention as a new imaging modality for medical applications,especially in disease diagnosis and image-guided surgery.Considering the recent advances in imaging,this technology provides an opportunity for twodimensional mapping of oxygen saturation(SatO2)of blood with high accuracy,spatial spectral imaging,and its analysis and provides detection and diagnostic information about the tissue physiology and morphology.Multispectral imaging also provides information about tissue oxygenation,perfusion,and potential function during surgery.Analytical algorithm has been examined,and indication of accurate map of relative hemoglobin concentration and SatO2 can be indicated with preferable resolution and frame rate.This technology is expected to provide promising biomedical information in practical use.Several studies suggested that blood flow and SatO2 are associated with gastrointestinal disorders,particularly malignant tumor conditions.The use and analysis of spectroscopic images are expected to potentially play a role in the detection and diagnosis of these diseases.
文摘Two kinds of nanopowders were studied.One is NiFe 2O 4 spherical nanopowders which have different particle sizes.Another is ZnO nanopowders including two series of spherical particles and tetrapod nanowhiskers.Through measuring the infrared diffuse reflection spectra of nanopowders,it can be found that the particle size and morphology affect the infrared diffuse reflection spectra.For the NiFe 2O 4 nanopowders the smaller the particle size,the larger the K-M value.And when the particle size is large enough,the effect of the particle size on infrared diffuse reflection spectra would disappear.For the ZnO nanopowders the effects of the particle size and morphology are more special.The effect of the particle sizes of tetrapod whisker nanopowders on infrared diffuse reflection spectra is more than that of spherical nanopowders.
文摘The excitation and emission spectra, the relaxation time of principal spectral lines and multi-diffused reflection spectra in LaOCl: Er, LaOCl: Ho powder samples were measured. The diffused absorption spectrum was derived from the multi-diffused reflection spectrum. According to Judd-Ofelt theory,the intensity parameters, radiative transition probabilities and quantum efficiencies of luminescence emission were calculated. Then comparison with erbium and holmium doped floride glass and other matrices were made.
文摘SrAl 2O 4∶Eu was adopted as main phase to prepare the ceramic pumping cavity material with ultraviolet(UV) converting function in order to match with laser absorption spectra. The relationship between SrAl 2O 4∶Eu powder processing and fluorescence effect was studied. The glass material with lower refractive index was added to the SrAl 2O 4∶Eu based ceramics. The diffusive reflectivity and the influence of fluorescence effect on reflection spectra of the ceramics were investigated. Some experimental results can be used for evaluating technical feasibility of the SrAl 2O 4∶Eu based ceramics used for laser reflectors.
