Severe matrix effects and high signal uncertainty are two key bottlenecks for the quantitative performance and wide applications of laser-induced breakdown spectroscopy(LIBS).Based on the understanding that the superp...Severe matrix effects and high signal uncertainty are two key bottlenecks for the quantitative performance and wide applications of laser-induced breakdown spectroscopy(LIBS).Based on the understanding that the superposition of both matrix effects and signal uncertainty directly affects plasma parameters and further influences spectral intensity and LIBS quantification performance,a data selection method based on plasma temperature matching(DSPTM)was proposed to reduce both matrix effects and signal uncertainty.By selecting spectra with smaller plasma temperature differences for all samples,the proposed method was able to build up the quantification model to rely more on spectra with smaller matrix effects and signal uncertainty,therefore improving final quantification performance.When applied to quantitative analysis of the zinc content in brass alloys,it was found that both accuracy and precision were improved using either a univariate model or multiple linear regression(MLR).More specifically,for the univariate model,the root-mean-square error of prediction(RMSEP),the determination coefficients(R^(2))and relative standard derivation(RSD)were improved from 3.30%,0.864 and 18.8%to 1.06%,0.986 and 13.5%,respectively;while for MLR,RMSEP,R^(2)and RSD were improved from 3.22%,0.871 and 26.2%to 1.07%,0.986 and 17.4%,respectively.These results prove that DSPTM can be used as an effective method to reduce matrix effects and improve repeatability by selecting reliable data.展开更多
Laser-induced breakdown spectroscopy(LIBS)has been used for soil analysis,but its measurement accuracy is often influenced by matrix effects of different kinds of soils.In this work,a method for matrix effect suppress...Laser-induced breakdown spectroscopy(LIBS)has been used for soil analysis,but its measurement accuracy is often influenced by matrix effects of different kinds of soils.In this work,a method for matrix effect suppressing was developed using laser-induced plasma acoustic signals to correct the original spectrum,thereby improving the analysis accuracy of the soil elements.A good linear relationship was investigated firstly between the original spectral intensity and the acoustic signals.The relative standard deviations(RSDs)of Mg,Ca,Sr,and Ba elements were then calculated for both the original spectrum and the spectrum with the acoustic correction,and the RSDs were significantly reduced with the acoustic correction.Finally,calibration curves of MgⅠ285.213 nm,CaⅠ422.673 nm,SrⅠ460.733 nm and BaⅡ455.403 nm were established to assess the analytical performance of the proposed acoustic correction method.The values of the determination coefficient(R~2)of the calibration curves for Mg,Ca,Sr,and Ba elements,corrected by the acoustic amplitude,are improved from 0.9845,0.9588,0.6165,and 0.6490 to 0.9876,0.9677,0.8768,and 0.8209,respectively.The values of R~2 of the calibration curves corrected by the acoustic energy are further improved to 0.9917,0.9827,0.8835,and 0.8694,respectively.These results suggest that the matrix effect of LIBS on soils can be clearly improved by using acoustic correction,and acoustic energy correction works more efficiently than acoustic amplitude correction.This work provides a simple and efficient method for correcting matrix effects in the element analysis of soils by acoustic signals.展开更多
Excitation-emission matrix fluorescence spectroscopy (EEM) has been widely used to elucidate the origin and structure of humic substances in natural environments. Due to its high sensitivity, good selectivity and non-...Excitation-emission matrix fluorescence spectroscopy (EEM) has been widely used to elucidate the origin and structure of humic substances in natural environments. Due to its high sensitivity, good selectivity and non-destructive advantage, the EEM was applied to characterizing a commercial Fluka humic acid (FHA). The results showed that the EEMs of FHA has several Ex/Em peaks. Ionic strength (0- 0.05 mol/L KClO 4) exerted little effect on the fluorescence properties of FHA, while the concentrations (5-100 mg/L) of FHA and pH (2-12) had significant effects. A red shift in the longer wavelength peak region was observed when the concentrations or pH values increased. The fluorescence intensity increased with increasing pH, but slightly decreased in the case of pH= 5.0. The protonation constants (lgK’ HL) of peak B were calculated to be 3.57 and 3.13, indicating that peak B was due to carboxyl groups. The r (A/B) values range from 0.61 to 2.59. A strong linear relationship between r (A/B) and pH was also observed. This indicates that the fluorescence peaks A and B posses similar inherent fluorescence characteristics.展开更多
The Cr^3＋：BeAl2O4 crystal, Cr^3＋：LiNbO3 crystal, and ZnO-Al2O3-SiO2 glass-ceramic were obtained by the Czochralski technique, Bridgman method, and melting processing, respectively. The optical absorption and emiss...The Cr^3＋：BeAl2O4 crystal, Cr^3＋：LiNbO3 crystal, and ZnO-Al2O3-SiO2 glass-ceramic were obtained by the Czochralski technique, Bridgman method, and melting processing, respectively. The optical absorption and emission spectra of the above Cr^3＋-incorporated solid-state materials were recorded. The technical parameters for growing high-quality Cr^3＋：BeAl2O4 and Cr^3＋：LINbO3 crystals were obtained. The results indicate that the optical absorption and fluorescence spectra of Cr^3＋ show quite a few differences in various matrixes. The sharp line emissions were observed in the Cr^3＋：BeAl2O4 and Cr^3＋：LiNbO3 crystals. The crystal-field parameters （Dq） for Cr^3＋. in different matrixes were calculated from their corresponding spectra. It is indicated that Cr^3＋：BeAl2O4 and Cr^3＋：LiNbO3 belong to the high-field site crystal, while the Cr^3＋ ZnO-Al2O3-SiO2 glass and glass-ceramic belong to the weak-field site crystal.展开更多
The complex nature of laser-material interaction causes non-stoichiometric ablation of alloy samples.This is attributed to matrix effect, which reduces analyzing capability. To address this issue, the analytical perfo...The complex nature of laser-material interaction causes non-stoichiometric ablation of alloy samples.This is attributed to matrix effect, which reduces analyzing capability. To address this issue, the analytical performance of three different normalization methods, namely normalization with background, internal normalization and three point smoothing techniques at different parameter settings is studied for quantification of Ag and Zn by Laser induced breakdown spectroscopy(LIBS).The LIBS spectra of five known concentration of silver zinc binary composites have been investigated at various laser irradiances(LIs). Calibration curves for both Ag(I) line(4d^(10)5s^2S_(1/2)→4d^(10)5p^2P_(1/2) at 338.28 nm) and Zn(I) line(4s5s^3S_1→4s4p^3P_2 at 481.053 nm) have been determined at LI of 5.86?×?10^(10)W cm^(-2). Slopes of these calibration curves provide the valuation of matrix effect in the Ag–Zn composites. With careful sample preparation and normalization after smoothing at optimum parameter setting(OPS), the minimization of sample matrix effect has been successfully achieved. A good linearity has been obtained in Ag and Zn calibration curve at OPS when normalized the whole area of spectrum after smoothing and the obtained coefficients of determination values were R^2?=?0.995 and 0.998 closer to 1. The results of matrix effect have been further verified by analysis of plasma parameters. Both plasma parameters showed no change with varying concentration at OPS. However, at high concentration of Ag, the observed significant changes in both plasma parameters at common parameter setting PS-1 and PS-2 were the gesture of matrix effect. In our case, the better analytical results were obtained at smoothing function with optimized parameter setting that indicates it is more efficient than normalization with background and internal normalization method.展开更多
AIM: To investigate the autofluorescence spectroscopic differences in normal and adenomatous colonic tissues and to determine the optimal excitation wavelengths for subsequent study and clinical application.METHODS: N...AIM: To investigate the autofluorescence spectroscopic differences in normal and adenomatous colonic tissues and to determine the optimal excitation wavelengths for subsequent study and clinical application.METHODS: Normal and adenomatous colonic tissues were obtained from patients during surgery. A FL/FS920combined TCSPC spectrofluorimeter and a lifetime spectrometer system were used for fluorescence measurement.Fluorescence excitation wavelengths varying from 260 to 540 nm were used to induce the autofluorescence spectra,and the corresponding emission spectra were recorded from a range starting 20 nm above the excitation wavelength and extending to 800 nm. Emission spectra were assembled into a three-dimensional fluorescence spectroscopy and an excitation-emission matrix (EEM) to exploit endogenous fluorophores and diagnostic information. Then emission spectra of normal and adenomatous colonic tissues at certain excitation wavelengths were compared to determine the optimal excitation wavelengths for diagnosis of colonic cancer.RESULTS: When compared to normal tissues, low NAD (P)H and FAD, but high amino acids and endogenous phorphyrins of protoporphyrin Ⅸ characterized the highgrade malignant colonic tissues. The optimal excitation wavelengths for diagnosis of colonic cancer were about 340, 380, 460, and 540 nm.CONCLUSION: Significant differences in autofluorescence peaks and its intensities can be observed in normal and adenomatous colonic tissues. Autofluorescence EEMs are able to identify colonic tissues.展开更多
The Southern Ocean is an important carbon sink pool and plays a critical role in the global carbon cycling.The Amundsen Sea was reported to be highly productive in inshore area in the Southern Ocean.In order to invest...The Southern Ocean is an important carbon sink pool and plays a critical role in the global carbon cycling.The Amundsen Sea was reported to be highly productive in inshore area in the Southern Ocean.In order to investigate the influence of transparent exopolymer particles(TEP)on the behavior of dissolved organic carbon(DOC)in this region,a comprehensive study was conducted,encompassing both open water areas and highly productive polynyas.It was found that microbial heterotrophic metabolism is the primary process responsible for the production of humic-like fluorescent components in the open ocean.The relationship between apparent oxygen utilization and the two humic-like components can be accurately described by a power-law function,with a conversion rate consistent with that observed globally.The presence of TEP was found to have little impact on this process.Additionally,the study revealed the accumulation of DOC at the sea surface in the Amundsen Sea Polynya,suggesting that TEP may play a critical role in this phenomenon.These findings contribute to a deeper understanding of the dynamics and surface accumulation of DOC in the Amundsen Sea Polynya,and provide valuable insights into the carbon cycle in this region.展开更多
The membrane bioreactor(MBR)technology is a rising star for wastewater treatment.The pollutant elimination and membrane fouling performances of MBRs are essentially related to the dissolved organic matter(DOM)in the s...The membrane bioreactor(MBR)technology is a rising star for wastewater treatment.The pollutant elimination and membrane fouling performances of MBRs are essentially related to the dissolved organic matter(DOM)in the system.Three-dimensional excitation-emission matrix(3D-EEM)fluorescence spectroscopy,a powerful tool for the rapid and sensitive characterization of DOM,has been extensively applied in MBR studies;however,only a limited portion of the EEM fingerprinting information was utilized.This paper revisits the principles and methods of fluorescence EEM,and reviews the recent progress in applying EEM to characterize DOM in MBR studies.We systematically introduced the information extracted from EEM by considering the fluorescence peak location/intensity,wavelength regional distribution,and spectral deconvolution(giving fluorescent component loadings/scores),and discussed how to use the information to interpret the chemical compositions,physiochemical properties,biological activities,membrane retention/fouling behaviors,and migration/transformation fates of DOM in MBR systems.In addition to conventional EEM indicators,novel fluorescent parameters are summarized for potential use,including quantum yield,Stokes shift,excited energy state,and fluorescence lifetime.The current limitations of EEM-based DOM characterization are also discussed,with possible measures proposed to improve applications in MBR monitoring.展开更多
The Laser Induced Breakdown Spectroscopy (LIBS) is a fast, non-contact, no sample preparation analytic technology;it is very suitable for on-line analysis of alloy composition. In the copper smelting industry, analysi...The Laser Induced Breakdown Spectroscopy (LIBS) is a fast, non-contact, no sample preparation analytic technology;it is very suitable for on-line analysis of alloy composition. In the copper smelting industry, analysis and control of the copper alloy concentration affect the quality of the products greatly, so LIBS is an efficient quantitative analysis tech- nology in the copper smelting industry. But for the lead brass, the components of Pb, Al and Ni elements are very low and the atomic emission lines are easily submerged under copper complex characteristic spectral lines because of the matrix effects. So it is difficult to get the online quantitative result of these important elements. In this paper, both the partial least squares (PLS) method and the calibration curve (CC) method are used to quantitatively analyze the laser induced breakdown spectroscopy data which is obtained from the standard lead brass alloy samples. Both the major and trace elements were quantitatively analyzed. By comparing the two results of the different calibration method, some useful results were obtained: both for major and trace elements, the PLS method was better than the CC method in quantitative analysis. And the regression coefficient of PLS method is compared with the original spectral data with background interference to explain the advantage of the PLS method in the LIBS quantitative analysis. Results proved that the PLS method used in laser induced breakdown spectroscopy was suitable for simultaneous quantitative analysis of different content elements in copper smelting industry.展开更多
A poly(acrylic acid)-clotrimazole system,gamma irradiated at different doses,is investigated by Raman spectroscopy.Modifications of the spectrum of the polymeric matrix appear for doses of radiation greater than 333 G...A poly(acrylic acid)-clotrimazole system,gamma irradiated at different doses,is investigated by Raman spectroscopy.Modifications of the spectrum of the polymeric matrix appear for doses of radiation greater than 333 Gy,whereas the spectrum of clotrimazole remains unaffected at these doses of radiation.These changes correlate with modification of the vibration modes of COOH and CH_(2) groups of a polymeric matrix after irradiation.展开更多
This paper presents a practical guide for use of the ScalIT software package to perform highly accurate bound rovibrational spectroscopy calculations for triatomic molecules. At its core, ScalIT serves as a massively ...This paper presents a practical guide for use of the ScalIT software package to perform highly accurate bound rovibrational spectroscopy calculations for triatomic molecules. At its core, ScalIT serves as a massively scalable iterative sparse matrix solver, while assisting modules serve to create rovibrational Hamiltonian matrices, and analyze computed energy levels (eigenvalues) and wavefunctions (eigenvectors). Some of the methods incorporated into the package include: phase space optimized discrete variable representation, preconditioned inexact spectral transform, and optimal separable basis preconditioning. ScalIT has previously been implemented successfully for a wide range of chemical applications, allowing even the most state-of-the-art calculations to be computed with relative ease, across a large number of computational cores, in a short amount of time.展开更多
基金financial support from the Scientific Research Program for Young Talents of China National Nuclear Corporation(2020)National Natural Science Foundation of China(Nos.51906124 and 62205172)+1 种基金Shanxi Province Science and Technology Department(No.20201101013)Guoneng Bengbu Power Generation Co.,Ltd(No.20212000001)。
文摘Severe matrix effects and high signal uncertainty are two key bottlenecks for the quantitative performance and wide applications of laser-induced breakdown spectroscopy(LIBS).Based on the understanding that the superposition of both matrix effects and signal uncertainty directly affects plasma parameters and further influences spectral intensity and LIBS quantification performance,a data selection method based on plasma temperature matching(DSPTM)was proposed to reduce both matrix effects and signal uncertainty.By selecting spectra with smaller plasma temperature differences for all samples,the proposed method was able to build up the quantification model to rely more on spectra with smaller matrix effects and signal uncertainty,therefore improving final quantification performance.When applied to quantitative analysis of the zinc content in brass alloys,it was found that both accuracy and precision were improved using either a univariate model or multiple linear regression(MLR).More specifically,for the univariate model,the root-mean-square error of prediction(RMSEP),the determination coefficients(R^(2))and relative standard derivation(RSD)were improved from 3.30%,0.864 and 18.8%to 1.06%,0.986 and 13.5%,respectively;while for MLR,RMSEP,R^(2)and RSD were improved from 3.22%,0.871 and 26.2%to 1.07%,0.986 and 17.4%,respectively.These results prove that DSPTM can be used as an effective method to reduce matrix effects and improve repeatability by selecting reliable data.
基金financially supported by National Natural Science Foundation of China(No.12064029)by Jiangxi Provincial Natural Science Foundation(No.20202BABL202024)by the Open project program of Key Laboratory of Opto-Electronic Information Science and Technology of Jiangxi Province(No.ED202208094)。
文摘Laser-induced breakdown spectroscopy(LIBS)has been used for soil analysis,but its measurement accuracy is often influenced by matrix effects of different kinds of soils.In this work,a method for matrix effect suppressing was developed using laser-induced plasma acoustic signals to correct the original spectrum,thereby improving the analysis accuracy of the soil elements.A good linear relationship was investigated firstly between the original spectral intensity and the acoustic signals.The relative standard deviations(RSDs)of Mg,Ca,Sr,and Ba elements were then calculated for both the original spectrum and the spectrum with the acoustic correction,and the RSDs were significantly reduced with the acoustic correction.Finally,calibration curves of MgⅠ285.213 nm,CaⅠ422.673 nm,SrⅠ460.733 nm and BaⅡ455.403 nm were established to assess the analytical performance of the proposed acoustic correction method.The values of the determination coefficient(R~2)of the calibration curves for Mg,Ca,Sr,and Ba elements,corrected by the acoustic amplitude,are improved from 0.9845,0.9588,0.6165,and 0.6490 to 0.9876,0.9677,0.8768,and 0.8209,respectively.The values of R~2 of the calibration curves corrected by the acoustic energy are further improved to 0.9917,0.9827,0.8835,and 0.8694,respectively.These results suggest that the matrix effect of LIBS on soils can be clearly improved by using acoustic correction,and acoustic energy correction works more efficiently than acoustic amplitude correction.This work provides a simple and efficient method for correcting matrix effects in the element analysis of soils by acoustic signals.
文摘Excitation-emission matrix fluorescence spectroscopy (EEM) has been widely used to elucidate the origin and structure of humic substances in natural environments. Due to its high sensitivity, good selectivity and non-destructive advantage, the EEM was applied to characterizing a commercial Fluka humic acid (FHA). The results showed that the EEMs of FHA has several Ex/Em peaks. Ionic strength (0- 0.05 mol/L KClO 4) exerted little effect on the fluorescence properties of FHA, while the concentrations (5-100 mg/L) of FHA and pH (2-12) had significant effects. A red shift in the longer wavelength peak region was observed when the concentrations or pH values increased. The fluorescence intensity increased with increasing pH, but slightly decreased in the case of pH= 5.0. The protonation constants (lgK’ HL) of peak B were calculated to be 3.57 and 3.13, indicating that peak B was due to carboxyl groups. The r (A/B) values range from 0.61 to 2.59. A strong linear relationship between r (A/B) and pH was also observed. This indicates that the fluorescence peaks A and B posses similar inherent fluorescence characteristics.
基金This work is financially supported by the Project of Science and Technology of Zhejiang Province (No. 011066)Project of Education Committee of Zhejiang Province (No. 20010231)the Doctoral Science Foundation of Ningbo City (No. 02J20101-12)the Personal Bureau of Ningbo City, China (No. 2002182).
文摘The Cr^3＋：BeAl2O4 crystal, Cr^3＋：LiNbO3 crystal, and ZnO-Al2O3-SiO2 glass-ceramic were obtained by the Czochralski technique, Bridgman method, and melting processing, respectively. The optical absorption and emission spectra of the above Cr^3＋-incorporated solid-state materials were recorded. The technical parameters for growing high-quality Cr^3＋：BeAl2O4 and Cr^3＋：LINbO3 crystals were obtained. The results indicate that the optical absorption and fluorescence spectra of Cr^3＋ show quite a few differences in various matrixes. The sharp line emissions were observed in the Cr^3＋：BeAl2O4 and Cr^3＋：LiNbO3 crystals. The crystal-field parameters （Dq） for Cr^3＋. in different matrixes were calculated from their corresponding spectra. It is indicated that Cr^3＋：BeAl2O4 and Cr^3＋：LiNbO3 belong to the high-field site crystal, while the Cr^3＋ ZnO-Al2O3-SiO2 glass and glass-ceramic belong to the weak-field site crystal.
基金supported by National Natural Science Foundation of China (Nos. 11475039, 11705020, 11605023)Liaoning Provincial Natural Science Foundation of China (No. 20170540153)
文摘The complex nature of laser-material interaction causes non-stoichiometric ablation of alloy samples.This is attributed to matrix effect, which reduces analyzing capability. To address this issue, the analytical performance of three different normalization methods, namely normalization with background, internal normalization and three point smoothing techniques at different parameter settings is studied for quantification of Ag and Zn by Laser induced breakdown spectroscopy(LIBS).The LIBS spectra of five known concentration of silver zinc binary composites have been investigated at various laser irradiances(LIs). Calibration curves for both Ag(I) line(4d^(10)5s^2S_(1/2)→4d^(10)5p^2P_(1/2) at 338.28 nm) and Zn(I) line(4s5s^3S_1→4s4p^3P_2 at 481.053 nm) have been determined at LI of 5.86?×?10^(10)W cm^(-2). Slopes of these calibration curves provide the valuation of matrix effect in the Ag–Zn composites. With careful sample preparation and normalization after smoothing at optimum parameter setting(OPS), the minimization of sample matrix effect has been successfully achieved. A good linearity has been obtained in Ag and Zn calibration curve at OPS when normalized the whole area of spectrum after smoothing and the obtained coefficients of determination values were R^2?=?0.995 and 0.998 closer to 1. The results of matrix effect have been further verified by analysis of plasma parameters. Both plasma parameters showed no change with varying concentration at OPS. However, at high concentration of Ag, the observed significant changes in both plasma parameters at common parameter setting PS-1 and PS-2 were the gesture of matrix effect. In our case, the better analytical results were obtained at smoothing function with optimized parameter setting that indicates it is more efficient than normalization with background and internal normalization method.
基金Supported by the Natural Science Foundation of Fujian Province, No. A0310018 and No. 2002F008the Scientific Research Program of Fujian Province, No. JA03041
文摘AIM: To investigate the autofluorescence spectroscopic differences in normal and adenomatous colonic tissues and to determine the optimal excitation wavelengths for subsequent study and clinical application.METHODS: Normal and adenomatous colonic tissues were obtained from patients during surgery. A FL/FS920combined TCSPC spectrofluorimeter and a lifetime spectrometer system were used for fluorescence measurement.Fluorescence excitation wavelengths varying from 260 to 540 nm were used to induce the autofluorescence spectra,and the corresponding emission spectra were recorded from a range starting 20 nm above the excitation wavelength and extending to 800 nm. Emission spectra were assembled into a three-dimensional fluorescence spectroscopy and an excitation-emission matrix (EEM) to exploit endogenous fluorophores and diagnostic information. Then emission spectra of normal and adenomatous colonic tissues at certain excitation wavelengths were compared to determine the optimal excitation wavelengths for diagnosis of colonic cancer.RESULTS: When compared to normal tissues, low NAD (P)H and FAD, but high amino acids and endogenous phorphyrins of protoporphyrin Ⅸ characterized the highgrade malignant colonic tissues. The optimal excitation wavelengths for diagnosis of colonic cancer were about 340, 380, 460, and 540 nm.CONCLUSION: Significant differences in autofluorescence peaks and its intensities can be observed in normal and adenomatous colonic tissues. Autofluorescence EEMs are able to identify colonic tissues.
基金funded by the National Natural Science Foundation of China(Grant nos.42276255 and 41976227)project“Impact and Response of Antarctic Seas to Climate Change,IRASCC 2020-2022”(Grant nos.01-01-02A and 02-02-05).
文摘The Southern Ocean is an important carbon sink pool and plays a critical role in the global carbon cycling.The Amundsen Sea was reported to be highly productive in inshore area in the Southern Ocean.In order to investigate the influence of transparent exopolymer particles(TEP)on the behavior of dissolved organic carbon(DOC)in this region,a comprehensive study was conducted,encompassing both open water areas and highly productive polynyas.It was found that microbial heterotrophic metabolism is the primary process responsible for the production of humic-like fluorescent components in the open ocean.The relationship between apparent oxygen utilization and the two humic-like components can be accurately described by a power-law function,with a conversion rate consistent with that observed globally.The presence of TEP was found to have little impact on this process.Additionally,the study revealed the accumulation of DOC at the sea surface in the Amundsen Sea Polynya,suggesting that TEP may play a critical role in this phenomenon.These findings contribute to a deeper understanding of the dynamics and surface accumulation of DOC in the Amundsen Sea Polynya,and provide valuable insights into the carbon cycle in this region.
基金the National Natural Science Foundation of China(No.51778599)the Beijing Natural Science Foundation(No.LI82044)+1 种基金the CAS Strategic Priority Research Programmer(A)(No.XDA20050103)the Youth Innovation Promotion Association CAS(No.110500EA62)。
文摘The membrane bioreactor(MBR)technology is a rising star for wastewater treatment.The pollutant elimination and membrane fouling performances of MBRs are essentially related to the dissolved organic matter(DOM)in the system.Three-dimensional excitation-emission matrix(3D-EEM)fluorescence spectroscopy,a powerful tool for the rapid and sensitive characterization of DOM,has been extensively applied in MBR studies;however,only a limited portion of the EEM fingerprinting information was utilized.This paper revisits the principles and methods of fluorescence EEM,and reviews the recent progress in applying EEM to characterize DOM in MBR studies.We systematically introduced the information extracted from EEM by considering the fluorescence peak location/intensity,wavelength regional distribution,and spectral deconvolution(giving fluorescent component loadings/scores),and discussed how to use the information to interpret the chemical compositions,physiochemical properties,biological activities,membrane retention/fouling behaviors,and migration/transformation fates of DOM in MBR systems.In addition to conventional EEM indicators,novel fluorescent parameters are summarized for potential use,including quantum yield,Stokes shift,excited energy state,and fluorescence lifetime.The current limitations of EEM-based DOM characterization are also discussed,with possible measures proposed to improve applications in MBR monitoring.
文摘The Laser Induced Breakdown Spectroscopy (LIBS) is a fast, non-contact, no sample preparation analytic technology;it is very suitable for on-line analysis of alloy composition. In the copper smelting industry, analysis and control of the copper alloy concentration affect the quality of the products greatly, so LIBS is an efficient quantitative analysis tech- nology in the copper smelting industry. But for the lead brass, the components of Pb, Al and Ni elements are very low and the atomic emission lines are easily submerged under copper complex characteristic spectral lines because of the matrix effects. So it is difficult to get the online quantitative result of these important elements. In this paper, both the partial least squares (PLS) method and the calibration curve (CC) method are used to quantitatively analyze the laser induced breakdown spectroscopy data which is obtained from the standard lead brass alloy samples. Both the major and trace elements were quantitatively analyzed. By comparing the two results of the different calibration method, some useful results were obtained: both for major and trace elements, the PLS method was better than the CC method in quantitative analysis. And the regression coefficient of PLS method is compared with the original spectral data with background interference to explain the advantage of the PLS method in the LIBS quantitative analysis. Results proved that the PLS method used in laser induced breakdown spectroscopy was suitable for simultaneous quantitative analysis of different content elements in copper smelting industry.
基金Supported by Babeş-Bolyai University under the Research Scheme Project POSDRU/89/1.5/S/60189.
文摘A poly(acrylic acid)-clotrimazole system,gamma irradiated at different doses,is investigated by Raman spectroscopy.Modifications of the spectrum of the polymeric matrix appear for doses of radiation greater than 333 Gy,whereas the spectrum of clotrimazole remains unaffected at these doses of radiation.These changes correlate with modification of the vibration modes of COOH and CH_(2) groups of a polymeric matrix after irradiation.
文摘This paper presents a practical guide for use of the ScalIT software package to perform highly accurate bound rovibrational spectroscopy calculations for triatomic molecules. At its core, ScalIT serves as a massively scalable iterative sparse matrix solver, while assisting modules serve to create rovibrational Hamiltonian matrices, and analyze computed energy levels (eigenvalues) and wavefunctions (eigenvectors). Some of the methods incorporated into the package include: phase space optimized discrete variable representation, preconditioned inexact spectral transform, and optimal separable basis preconditioning. ScalIT has previously been implemented successfully for a wide range of chemical applications, allowing even the most state-of-the-art calculations to be computed with relative ease, across a large number of computational cores, in a short amount of time.
