The optimal selection method of spectral region based on the grey correlation analysis was applied in the analysis of near-infrared（NIR） spectra. In order to compute ＂characteristic＂ spectral region, 160 samples o...The optimal selection method of spectral region based on the grey correlation analysis was applied in the analysis of near-infrared（NIR） spectra. In order to compute ＂characteristic＂ spectral region, 160 samples of tobacco were surveyed by NIR. Next, the whole spectral region was randomly divided into six regions, and the values of association coefficients and correlation orders of different regions were computed for total sugar, reducing sugar and nicotine. Moreover, two regions that owned the largest value of association coefficient were regarded as ＂characteristic＂ spectral region of a model. Finally, the quantitative analysis models of different components were established via the partial least squares method, and the common selection methods of spectral region were compared. The simulation results indicate that the models to choose the spectral region based on grey correlation analysis are more effective than the common selection methods of spectral region, the optimized time of algorithm is shorter, the prediction precision of the models is higher and generalization ability for quantitative analysis results is stronger. This research can provide the support for the quantitative analysis models of NIR spectra and new idea for commercial analysis software of NIR. So, it has a high application value in the analysis of NIR spectra.展开更多
Energy resolution calibration is crucial for gamma-ray spectral analysis,as measured using a scintillation detector.A locally constrained regularization method was proposed to determine the resolution calibration para...Energy resolution calibration is crucial for gamma-ray spectral analysis,as measured using a scintillation detector.A locally constrained regularization method was proposed to determine the resolution calibration parameters.First,a Monte Carlo simulation model consistent with an actual measurement system was constructed to obtain the energy deposition distribution in the scintillation crystal.Subsequently,the regularization objective function is established based on weighted least squares and additional constraints.Additional constraints were designed using a special weighting scheme based on the incident gamma-ray energies.Subsequently,an intelligent algorithm was introduced to search for the optimal resolution calibration parameters by minimizing the objective function.The most appropriate regularization parameter was determined through mathematical experiments.When the regularization parameter was 30,the calibrated results exhibited the minimum RMSE.Simulations and test pit experiments were conducted to verify the performance of the proposed method.The simulation results demonstrate that the proposed algorithm can determine resolution calibration parameters more accurately than the traditional weighted least squares,and the test pit experimental results show that the R-squares between the calibrated and measured spectra are larger than 0.99.The accurate resolution calibration parameters determined by the proposed method lay the foundation for gamma-ray spectral processing and simulation benchmarking.展开更多
The three-dimensional spectral analysis method was applied to airglow data from September 2023 to August 2024 derivedfrom an OH airglow imager located at the Hejing station (42.79°N, 83.73°E) to study the pr...The three-dimensional spectral analysis method was applied to airglow data from September 2023 to August 2024 derivedfrom an OH airglow imager located at the Hejing station (42.79°N, 83.73°E) to study the propagation characteristics of gravity waves(GWs) over Northwest China. We found that obvious seasonal variations occur in the propagation of GWs. In spring, GWs mainlypropagate in the northeast direction. In summer and autumn, GWs mainly propagate in the north direction. However, GWs mainlypropagate in the south direction in winter. The direction of GW propagation in the zonal direction is controlled by the wind-filteringeffect, whereas the north–south meridional direction is mainly determined by the location of the wave source. We found that the averageenergy spectrum exhibits a 10%–20% higher intensity in summer and winter compared with spring and autumn. For the first time, wereport the seasonal variation characteristics of GWs over the inland areas of Northwest China, which is of great significance forunderstanding the regional distribution characteristics of GWs.展开更多
As a frequently occurred marine pollution phenomenon,red tides of water body due to eutrophication cause massive mortality of marine organisms and serious ecological problems.The early warning and prediction of red ti...As a frequently occurred marine pollution phenomenon,red tides of water body due to eutrophication cause massive mortality of marine organisms and serious ecological problems.The early warning and prediction of red tide outbreak can provide guidance to the coastal management,and is of great value to the aquaculture industry and marine environment protection.An approach for the risk assessment of red tide occurrence using spectral indices was made.The optimal spectral indices were explored from three candidates,namely two-band ratio(TBR)method,three-band spectral index(TBSI)method,and fluorescence baseline(FLB)method.The correlations between the spectral indices and the red tide occurrence were quantitatively evaluated through analysis of variance(ANOVA).The risk maps for the Beibu Gulf and the Bohai Bay in China were produced with the normalized spectral indices based on the multi-spectral observation from Sentinel-3 satellite.Results show that both TBR and TBSI values have significant correlations with the occurrences of red tide as the ANOVA results.TBSI illustrated correctly the risk of red tide occurrence in the risk maps and was the optimal spectral index offshore risk assessment of red tide.FLB method failed to recognize the high-risk regions and may not be the appropriate spectral index.The risk assessment method proposed in this study can provide early alarms on red tide occurrence and help timely the countermeasure against potential harms.展开更多
The identification of liquor brands is very important for food safety. Most of the fake liquors are usually made into the products with the same flavor and alcohol content as regular brand, so the identification for t...The identification of liquor brands is very important for food safety. Most of the fake liquors are usually made into the products with the same flavor and alcohol content as regular brand, so the identification for the liquor brands with the same flavor and the same alcohol content is essential. However, it is also difficult because the components of such liquor samples are very similar. Near-infrared (NIR) spectroscopy combined with partial least squares discriminant analysis (PLS-DA) was applied to identification of liquor brands with the same flavor and alcohol content. A total of 160 samples of Luzhou Laojiao liquor and 200 samples of non-Luzhou Laojiao liquor with the same flavor and alcohol content were used for identification. Samples of each type were randomly divided into the modeling and validation sets. The modeling samples were further divided into calibration and prediction sets using the Kennard-Stone algorithm to achieve uniformity and representativeness. In the modeling and validation processes based on PLS-DA method, the recognition rates of samples achieved 99.1% and 98.7%, respectively. The results show high prediction performance for the identification of liquor brands, and were obviously better than those obtained from the principal component linear discriminant analysis method. NIR spectroscopy combined with the PLS-DA method provides a quick and effective means of the discriminant analysis of liquor brands, and is also a promising tool for large-scale inspection of liquor food safety.展开更多
Near-infrared (NIR) spectroscopy combined with chemometrics methods was applied to the rapid and reagent-free analysis of serum urea nitrogen (SUN). The mul-partitions modeling was performed to achieve parameter stabi...Near-infrared (NIR) spectroscopy combined with chemometrics methods was applied to the rapid and reagent-free analysis of serum urea nitrogen (SUN). The mul-partitions modeling was performed to achieve parameter stability. A large-scale parameter cyclic and global optimization platform for Norris derivative filter (NDF) of three parameters (the derivative order: d, the number of smoothing points: s and the number of differential gaps: g) was developed with PLS regression. Meantime, the parameters’ adaptive analysis of NDF algorithm was also given, and achieved a significantly better modeling effect than one without spectral pre-processing. After eliminating the interference wavebands of saturated absorption, the modeling performance was further improved. In validation, the root mean square error (SEP), correlation coefficient (RP) for prediction and the ratio of performance to deviation (RPD) were 1.66 mmol?L-1, 0.966 and 4.7, respectively. The results showed that the high-precision analysis of SUN was feasibility based on NIR spectroscopy and Norris-PLS. The global optimization method of NDF is also expected to be applied to other analysis objects.展开更多
A rapid quantitative analytical method for three components of Lonicerae Japornicae Flos solution(Lonicera Japonica Thumb.)extracted by water was developed using near-infrared(NIR)spectroscopy and the partial least-sq...A rapid quantitative analytical method for three components of Lonicerae Japornicae Flos solution(Lonicera Japonica Thumb.)extracted by water was developed using near-infrared(NIR)spectroscopy and the partial least-squares(PLS)method.The NIR spectra of 81 samples collected from a production line were obtained.The concentrations of secologanic acid,chlorogenicacid and galuteolin were detemmined by using high-performance liquid chromatography-diodearray detection as the reference method.Several pretreatment methods for the NIR spectra wereusedi during PLS calibration.The most appropriate latent variable number of the PLS factor wasselected based on the standard error of cross-validation(SECV).The performance of the finalPLS models was evaluated according to SECV,standard error of predliction(SEP)and deter-mination coeficient(R^(2)).The compounds secologanic acid,chlorogenic acid and galuteolin hadSEP values of 0.030,0.061 and 1.668μg/mL,respectively and R^(2) values over 0.85.This workshows that NIR spectroscopy is a rapid and convenient method for the analysis of LoniceraeJaponicae Flos solution extracted by water.The proposed method can help in the application ofprocs analytical technology in the pha maceutical industry,particularly in tra ditional Chinesemedicine injections.展开更多
Partial least squares discriminant analysis (PLS-DA) with integrated moving-window (MW) waveband screening was applied to the discriminant analysis of liquor brands with near-infrared (NIR) spectroscopy. Luzhou Laojia...Partial least squares discriminant analysis (PLS-DA) with integrated moving-window (MW) waveband screening was applied to the discriminant analysis of liquor brands with near-infrared (NIR) spectroscopy. Luzhou Laojiao, a popular liquor with strong fragrant flavor, was used as the identified liquor brand (160 samples, negative, 52 vol alcoholicity). Liquors of 10 other brands with strong fragrant flavor were used as the interferential brands (200 samples, positive, 52 vol alcoholicity). The Kennard-Stone algorithm was used for the division of modeling samples to achieve uniformity and representativeness. Based on the MW-PLS-DA, a simplified optimal model set with 157 wavebands was further proposed. This set contained five types of wavebands corresponding to the NIR absorption bands of water, ethanol, and other micronutrients (i.e., acids, aldehydes, phenols, and aromatic compounds) in liquor for practical choice. Using five selected simple models with 4775 - 4239, 7804 - 6569, 6264 - 5844, 9435 - 7896, and 12066 - 10373 cm-1, the validation recognition rates were obtained as 99.3% or higher. Results show good prediction performance and low model complexity, and also provided a valuable reference for designing small dedicated instruments. The proposed method is a promising tool for large-scale inspection of liquor food safety.展开更多
Using visible and near-infrared (Vis-NIR) spectroscopy combined with partial least squares (PLS) regression, the rapid reagent-free analysis model for chromium (Cr) content in tideland reclamation soil in the Pearl Ri...Using visible and near-infrared (Vis-NIR) spectroscopy combined with partial least squares (PLS) regression, the rapid reagent-free analysis model for chromium (Cr) content in tideland reclamation soil in the Pearl River Delta, China was established. Based on Savitzky-Golay (SG) smoothing and PLS regression, a multi-parameters optimization platform (SG-PLS) covering 264 modes was constructed to select the appropriately spectral preprocessing mode. The optimal SG-PLS model was determined according to the prediction effect. The selected optimal parameters <em>d, p, m</em> and LV were 2, 6, 23 and 8, respectively. Using the validation samples that were not involved in modeling, the root mean square error (SEP<sub>V</sub>), relative root mean square error (R-SEP<sub>V</sub>) and correlation coefficients (R<sub>P, V</sub>) of prediction were 11.66 mg<span style="white-space:nowrap;">·</span>kg<sup>-1</sup>, 10.7% and 0.722, respectively. The results indicated that the feasibility of using Vis-NIR spectroscopy combined with SG-PLS method to analyze soil Cr content. The constructed multi-parameters optimization platform with SG-PLS is expected to be applied to a wider field of analysis. The rapid detection method has important application values to large-scale agricultural production.展开更多
Near-infrared (NIR) spectroscopy was applied to reagent-free quantitative analysis of polysaccharide of a brand product of proprietary Chinese medicine (PCM) oral solution samples. A novel method, called absorbance up...Near-infrared (NIR) spectroscopy was applied to reagent-free quantitative analysis of polysaccharide of a brand product of proprietary Chinese medicine (PCM) oral solution samples. A novel method, called absorbance upper optimization partial least squares (AUO-PLS), was proposed and successfully applied to the wavelength selection. Based on varied partitioning of the calibration and prediction sample sets, the parameter optimization was performed to achieve stability. On the basis of the AUO-PLS method, the selected upper bound of appropriate absorbance was 1.53 and the corresponding wavebands combination was 400 - 1880 & 2088 - 2346 nm. With the use of random validation samples excluded from the modeling process, the root-mean-square error and correlation coefficient of prediction for polysaccharide were 27.09 mg·L<sup>-</sup><sup>1</sup> and 0.888, respectively. The results indicate that the NIR prediction values are close to those of the measured values. NIR spectroscopy combined with AUO-PLS method provided a promising tool for quantification of the polysaccharide for PCM oral solution and this technique is rapid and simple when compared with conventional methods.展开更多
The identification of soy sauce adulteration can avoid fraud, and protect the rights and interests of producers and consumers. Based on two measurement models (1 mm, 10 mm), the visible and near-infrared (Vis-NIR) spe...The identification of soy sauce adulteration can avoid fraud, and protect the rights and interests of producers and consumers. Based on two measurement models (1 mm, 10 mm), the visible and near-infrared (Vis-NIR) spectroscopy combined with standard normal variate-partial least squares-discriminant analysis (SNV-PLS-DA) was used to establish the discriminant analysis models for adulterated and brewed soy sauces. Chubang soy sauce was selected as an identification brand (negative, 70). The adulteration samples (positive, 72) were prepared by mixing Chubang soy sauce and blended soy sauce with different adulteration rates. Among them, the “blended soy sauce” sample was concocted of salt water (NaCl), monosodium glutamate (C<sub>5</sub>H<sub>10</sub>NNaO<sub>5</sub>) and caramel color (C<sub>6</sub>H<sub>8</sub>O<sub>3</sub>). The rigorous calibration-prediction-validation sample design was adopted. For the case of 1 mm, five waveband models (visible, short-NIR, long-NIR, whole NIR and whole scanning regions) were established respectively;in the case of 10 mm, three waveband models (visible, short-NIR and visible-short-NIR regions) for unsaturated absorption were also established respectively. In independent validation, the models of all wavebands in the cases of 1 mm and 10 mm have achieved good discrimination effects. For the case of 1 mm, the visible model achieved the optimal validation effect, the validation recognition-accuracy rate (RAR<sub>V</sub>) was 99.6%;while in the case of 10 mm, both the visible and visible-short-NIR models achieved the optimal validation effect (RAR<sub>V</sub> = 100%). The detection method does not require reagents and is fast and simple, which is easy to promote the application. The results can provide valuable reference for designing small dedicated spectrometers with different measurement modals and different spectral regions.展开更多
OBJECTIVE: To establish a quantitative model for the online analysis of hesperidin content in the extraction process of Huatan Qushi decoction for individuals with phlegm-dampness constitution by using near-infrared(N...OBJECTIVE: To establish a quantitative model for the online analysis of hesperidin content in the extraction process of Huatan Qushi decoction for individuals with phlegm-dampness constitution by using near-infrared(NIR) spectroscopy and partial least squares(PLS) methods.METHODS: The reference content of hesperidin, an effective ingredient of Huatan Qushi decoction,was determined using high-performance liquid chromatography(HPLC). The modeling band was selected using synergy interval PLS(Si PLS) algorithms, and a PLS model demonstrating the relationship between NIR predictive values and HPLC reference values was established. The optimal modeling route was selected through global optimization of process trace parameters.RESULTS: The root mean square error of cross-validation was 9.8410. The coefficients of determination of the calibration set and prediction set were0.9860(R2 cal) and 0.9458(R_(cal)~2), respectively. The residual predictive deviation was 3.0115. The parameters demonstrated high predictive capability and reliability. The band was selected via the Si PLS method. There were seven latent variables.CONCLUSION: This study provides a favorable comprehensive evaluation method for variable selection and quality control of the Traditional Chinese Medicine extraction process.展开更多
Functional near-infrared spectroscopy(fNIRS)is a neuroimaging technology which is suitable for psychiatric patients.Several fNIRS studies have found abnormal brain activations during cognitive tasks in elderly depress...Functional near-infrared spectroscopy(fNIRS)is a neuroimaging technology which is suitable for psychiatric patients.Several fNIRS studies have found abnormal brain activations during cognitive tasks in elderly depression.In this paper,we proposed a discriminative model of multivariate pattern classification based on fNIRS signals to distinguish elderly depressed patients from healthy controls.This model used the brain activation patterns during a verbal fluency task as features of classification.Then Pseudo-Fisher Linear Discriminant Analysis was performed on the feature space to generate discriminative model.Using leave-one-out(LOO)cross-validation,our results showed a correct classification rate of 88%.The discriminative model showed its ability to identify people with elderly depression and suggested that fNIRS may be an efficient clinical tool for diagnosis of depression.This study may provide the first step for the development of neuroimaging biomarkers based on fNIRS in psychiatric disorders.展开更多
Near-infrared spectroscopy coupled with kernel partial least squares-discriminant analysis was used to rapidly screen water containing malathion. In the wavenumber of 4348 cm-1 to 9091 cm-1, the overall correct classi...Near-infrared spectroscopy coupled with kernel partial least squares-discriminant analysis was used to rapidly screen water containing malathion. In the wavenumber of 4348 cm-1 to 9091 cm-1, the overall correct classification rate of kernel partial least squares-discriminant analysis was 100% for training set, and 100% for test set, with the lowest concentration detected malathion residues in water being 1 μg·ml-1. Kernel partial least squares-discriminant analysis was able to have a good performance in classifying data in nonlinear systems. It was inferred that Near-infrared spectroscopy coupled with the kernel partial least squares-discriminant analysis had a potential in rapid screening other pesticide residues in water.展开更多
In order to overcome the shortcomings that the reconstructed spectral reflectance may be negative when using the classic principal component analysis （PCA）to reduce the dimensions of the multi-spectral data, a nonne...In order to overcome the shortcomings that the reconstructed spectral reflectance may be negative when using the classic principal component analysis （PCA）to reduce the dimensions of the multi-spectral data, a nonnegative constrained principal component analysis method is proposed to construct a low-dimensional multi-spectral space and accomplish the conversion between the new constructed space and the multispectral space. First, the reason behind the negative data is analyzed and a nonnegative constraint is imposed on the classic PCA. Then a set of nonnegative linear independence weight vectors of principal components is obtained, by which a lowdimensional space is constructed. Finally, a nonlinear optimization technique is used to determine the projection vectors of the high-dimensional multi-spectral data in the constructed space. Experimental results show that the proposed method can keep the reconstructed spectral data in [ 0, 1 ]. The precision of the space created by the proposed method is equivalent to or even higher than that by the PCA.展开更多
Abstract The continuously rotating detonation engine （CRDE） is a new concept of engines for air- craft and spacecraft. Quasi-stable continuously rotating detonation （CRD） can be observed in an annular combustion c...Abstract The continuously rotating detonation engine （CRDE） is a new concept of engines for air- craft and spacecraft. Quasi-stable continuously rotating detonation （CRD） can be observed in an annular combustion chamber, but the sustaining, stabilizing and adjusting mechanisms are not yet clear. To learn more deeply into the CRDE, experimental studies have been carried out to inves- tigate hydrogen-oxygen CRDE. Pressure histories are obtained during each shot, which show that stable CRD waves are generated in the combustor, when feeding pressures are higher than 0.5 MPa for fuel and oxidizer, respectively. Each shot can keep running as long as fresh gas feeding main- tains. Close-up of the pressure history shows the repeatability of pressure peaks and indicates the detonation velocity in hydrogen-oxygen CRD, which proves the success of forming a stable CRD in the annular chamber. Spectrum of the pressure history matches the close-up analysis and confirms the CRD. It also shows multi-wave phenomenon and affirms the fact that in this case a single detonation wave is rotating in the annulus. Moreover, oscillation phenomenon is found in pressure peaks and a self-adjusting mechanism is proposed to explain the phenomenon.展开更多
The spectral methods and ice-induced fatigue analysis are discussed based on Miner＇s linear cumulative fatigue hypothesis and S-N curve data. According to the long-term data of full-scale tests on the platforms in th...The spectral methods and ice-induced fatigue analysis are discussed based on Miner＇s linear cumulative fatigue hypothesis and S-N curve data. According to the long-term data of full-scale tests on the platforms in the Bohai Sea, the ice force spectrum of conical structures and the fatigue environmental model are established. Moreover, the finite element model of JZ20-2MSW platform, an example of ice-induced fatigue analysis, is built with ANSYS software. The mode analysis and dynamic analysis in frequency domain under all kinds of ice fatigue work conditions are carded on, and the fatigue life of the structure is estimated in detail. The methods in this paper can be helpful in ice-induced fatigue analysis of ice-resistant platforms.展开更多
To better understand the migration behavior of plastic fragments in the environment,development of rapid non-destructive methods for in-situ identification and characterization of plastic fragments is necessary.Howeve...To better understand the migration behavior of plastic fragments in the environment,development of rapid non-destructive methods for in-situ identification and characterization of plastic fragments is necessary.However,most of the studies had focused only on colored plastic fragments,ignoring colorless plastic fragments and the effects of different environmental media(backgrounds),thus underestimating their abundance.To address this issue,the present study used near-infrared spectroscopy to compare the identification of colored and colorless plastic fragments based on partial least squares-discriminant analysis(PLS-DA),extreme gradient boost,support vector machine and random forest classifier.The effects of polymer color,type,thickness,and background on the plastic fragments classification were evaluated.PLS-DA presented the best and most stable outcome,with higher robustness and lower misclassification rate.All models frequently misinterpreted colorless plastic fragments and its background when the fragment thickness was less than 0.1mm.A two-stage modeling method,which first distinguishes the plastic types and then identifies colorless plastic fragments that had been misclassified as background,was proposed.The method presented an accuracy higher than 99%in different backgrounds.In summary,this study developed a novel method for rapid and synchronous identification of colored and colorless plastic fragments under complex environmental backgrounds.展开更多
Response spectral moments are useful for system reliability analysis.Usually,spectral mo- ments are calculated by the frequency domain method.Based on the time domain modal analysis of random vibrations,the authors pr...Response spectral moments are useful for system reliability analysis.Usually,spectral mo- ments are calculated by the frequency domain method.Based on the time domain modal analysis of random vibrations,the authors present a new method for calculating response spectral moments through response correlation functions.The method can be applied to both classical and non-classical damping cases and to three kinds of random excitations,i.e.,white noise,band-limited white noise, and filtered white noise.展开更多
In this paper, we make use of the functional spectral analysis to infer the periodicity of paleoclimate in the Hongzuisi section since about 15 ka. Through combined analysis of organic carbon isotope and CaCO\-3 conte...In this paper, we make use of the functional spectral analysis to infer the periodicity of paleoclimate in the Hongzuisi section since about 15 ka. Through combined analysis of organic carbon isotope and CaCO\-3 content, the law of paleoclimatic evolution of the Hongzuisi section is obtained. There were climatic changes from 10 ka to about 0.1 ka over the last 15 ka. Among these cycles, the cycle of several ka is most remarkable. The result indicates that functional spectral analysis is helpful for paleoclimatic study, which can provide useful information about paleoclimatic reconstruction and future forecast.展开更多
基金Supported by the Key Projects in the National Science&Technology Pillar Program,China(No.2007BAI38B03)the Development Program of the Science and Technology of Jilin Province,China(Nos.200705C07,20075020)the 11th Five-Year Key Project of Jilin Province Education Department,China(No.[2010]205)
文摘The optimal selection method of spectral region based on the grey correlation analysis was applied in the analysis of near-infrared（NIR） spectra. In order to compute ＂characteristic＂ spectral region, 160 samples of tobacco were surveyed by NIR. Next, the whole spectral region was randomly divided into six regions, and the values of association coefficients and correlation orders of different regions were computed for total sugar, reducing sugar and nicotine. Moreover, two regions that owned the largest value of association coefficient were regarded as ＂characteristic＂ spectral region of a model. Finally, the quantitative analysis models of different components were established via the partial least squares method, and the common selection methods of spectral region were compared. The simulation results indicate that the models to choose the spectral region based on grey correlation analysis are more effective than the common selection methods of spectral region, the optimized time of algorithm is shorter, the prediction precision of the models is higher and generalization ability for quantitative analysis results is stronger. This research can provide the support for the quantitative analysis models of NIR spectra and new idea for commercial analysis software of NIR. So, it has a high application value in the analysis of NIR spectra.
基金supported by the National Natural Science Foundation of China(No.41804141)。
文摘Energy resolution calibration is crucial for gamma-ray spectral analysis,as measured using a scintillation detector.A locally constrained regularization method was proposed to determine the resolution calibration parameters.First,a Monte Carlo simulation model consistent with an actual measurement system was constructed to obtain the energy deposition distribution in the scintillation crystal.Subsequently,the regularization objective function is established based on weighted least squares and additional constraints.Additional constraints were designed using a special weighting scheme based on the incident gamma-ray energies.Subsequently,an intelligent algorithm was introduced to search for the optimal resolution calibration parameters by minimizing the objective function.The most appropriate regularization parameter was determined through mathematical experiments.When the regularization parameter was 30,the calibrated results exhibited the minimum RMSE.Simulations and test pit experiments were conducted to verify the performance of the proposed method.The simulation results demonstrate that the proposed algorithm can determine resolution calibration parameters more accurately than the traditional weighted least squares,and the test pit experimental results show that the R-squares between the calibrated and measured spectra are larger than 0.99.The accurate resolution calibration parameters determined by the proposed method lay the foundation for gamma-ray spectral processing and simulation benchmarking.
基金supported by the National Science Foundation of China(Grant Nos.42374205 and 41974179)the Specialized Research Fund of the National Space Science Center,Chinese Academy of Sciences(Grant No.E4PD3010)supported by the Specialized Research Fund for State Key Laboratories.
文摘The three-dimensional spectral analysis method was applied to airglow data from September 2023 to August 2024 derivedfrom an OH airglow imager located at the Hejing station (42.79°N, 83.73°E) to study the propagation characteristics of gravity waves(GWs) over Northwest China. We found that obvious seasonal variations occur in the propagation of GWs. In spring, GWs mainlypropagate in the northeast direction. In summer and autumn, GWs mainly propagate in the north direction. However, GWs mainlypropagate in the south direction in winter. The direction of GW propagation in the zonal direction is controlled by the wind-filteringeffect, whereas the north–south meridional direction is mainly determined by the location of the wave source. We found that the averageenergy spectrum exhibits a 10%–20% higher intensity in summer and winter compared with spring and autumn. For the first time, wereport the seasonal variation characteristics of GWs over the inland areas of Northwest China, which is of great significance forunderstanding the regional distribution characteristics of GWs.
基金Supported by the National Key R&D Program of China(No.2023YFC3108300)the Dalian High-level Talent Innovation Program(No.2022RG02)the Fundamental Research Funds for the Central Universities(No.3132023507)。
文摘As a frequently occurred marine pollution phenomenon,red tides of water body due to eutrophication cause massive mortality of marine organisms and serious ecological problems.The early warning and prediction of red tide outbreak can provide guidance to the coastal management,and is of great value to the aquaculture industry and marine environment protection.An approach for the risk assessment of red tide occurrence using spectral indices was made.The optimal spectral indices were explored from three candidates,namely two-band ratio(TBR)method,three-band spectral index(TBSI)method,and fluorescence baseline(FLB)method.The correlations between the spectral indices and the red tide occurrence were quantitatively evaluated through analysis of variance(ANOVA).The risk maps for the Beibu Gulf and the Bohai Bay in China were produced with the normalized spectral indices based on the multi-spectral observation from Sentinel-3 satellite.Results show that both TBR and TBSI values have significant correlations with the occurrences of red tide as the ANOVA results.TBSI illustrated correctly the risk of red tide occurrence in the risk maps and was the optimal spectral index offshore risk assessment of red tide.FLB method failed to recognize the high-risk regions and may not be the appropriate spectral index.The risk assessment method proposed in this study can provide early alarms on red tide occurrence and help timely the countermeasure against potential harms.
文摘The identification of liquor brands is very important for food safety. Most of the fake liquors are usually made into the products with the same flavor and alcohol content as regular brand, so the identification for the liquor brands with the same flavor and the same alcohol content is essential. However, it is also difficult because the components of such liquor samples are very similar. Near-infrared (NIR) spectroscopy combined with partial least squares discriminant analysis (PLS-DA) was applied to identification of liquor brands with the same flavor and alcohol content. A total of 160 samples of Luzhou Laojiao liquor and 200 samples of non-Luzhou Laojiao liquor with the same flavor and alcohol content were used for identification. Samples of each type were randomly divided into the modeling and validation sets. The modeling samples were further divided into calibration and prediction sets using the Kennard-Stone algorithm to achieve uniformity and representativeness. In the modeling and validation processes based on PLS-DA method, the recognition rates of samples achieved 99.1% and 98.7%, respectively. The results show high prediction performance for the identification of liquor brands, and were obviously better than those obtained from the principal component linear discriminant analysis method. NIR spectroscopy combined with the PLS-DA method provides a quick and effective means of the discriminant analysis of liquor brands, and is also a promising tool for large-scale inspection of liquor food safety.
文摘Near-infrared (NIR) spectroscopy combined with chemometrics methods was applied to the rapid and reagent-free analysis of serum urea nitrogen (SUN). The mul-partitions modeling was performed to achieve parameter stability. A large-scale parameter cyclic and global optimization platform for Norris derivative filter (NDF) of three parameters (the derivative order: d, the number of smoothing points: s and the number of differential gaps: g) was developed with PLS regression. Meantime, the parameters’ adaptive analysis of NDF algorithm was also given, and achieved a significantly better modeling effect than one without spectral pre-processing. After eliminating the interference wavebands of saturated absorption, the modeling performance was further improved. In validation, the root mean square error (SEP), correlation coefficient (RP) for prediction and the ratio of performance to deviation (RPD) were 1.66 mmol?L-1, 0.966 and 4.7, respectively. The results showed that the high-precision analysis of SUN was feasibility based on NIR spectroscopy and Norris-PLS. The global optimization method of NDF is also expected to be applied to other analysis objects.
基金Financial support was received from the National High-tech Industry Development Project of National Development and Reform Commission(Nos.2007-2490).
文摘A rapid quantitative analytical method for three components of Lonicerae Japornicae Flos solution(Lonicera Japonica Thumb.)extracted by water was developed using near-infrared(NIR)spectroscopy and the partial least-squares(PLS)method.The NIR spectra of 81 samples collected from a production line were obtained.The concentrations of secologanic acid,chlorogenicacid and galuteolin were detemmined by using high-performance liquid chromatography-diodearray detection as the reference method.Several pretreatment methods for the NIR spectra wereusedi during PLS calibration.The most appropriate latent variable number of the PLS factor wasselected based on the standard error of cross-validation(SECV).The performance of the finalPLS models was evaluated according to SECV,standard error of predliction(SEP)and deter-mination coeficient(R^(2)).The compounds secologanic acid,chlorogenic acid and galuteolin hadSEP values of 0.030,0.061 and 1.668μg/mL,respectively and R^(2) values over 0.85.This workshows that NIR spectroscopy is a rapid and convenient method for the analysis of LoniceraeJaponicae Flos solution extracted by water.The proposed method can help in the application ofprocs analytical technology in the pha maceutical industry,particularly in tra ditional Chinesemedicine injections.
文摘Partial least squares discriminant analysis (PLS-DA) with integrated moving-window (MW) waveband screening was applied to the discriminant analysis of liquor brands with near-infrared (NIR) spectroscopy. Luzhou Laojiao, a popular liquor with strong fragrant flavor, was used as the identified liquor brand (160 samples, negative, 52 vol alcoholicity). Liquors of 10 other brands with strong fragrant flavor were used as the interferential brands (200 samples, positive, 52 vol alcoholicity). The Kennard-Stone algorithm was used for the division of modeling samples to achieve uniformity and representativeness. Based on the MW-PLS-DA, a simplified optimal model set with 157 wavebands was further proposed. This set contained five types of wavebands corresponding to the NIR absorption bands of water, ethanol, and other micronutrients (i.e., acids, aldehydes, phenols, and aromatic compounds) in liquor for practical choice. Using five selected simple models with 4775 - 4239, 7804 - 6569, 6264 - 5844, 9435 - 7896, and 12066 - 10373 cm-1, the validation recognition rates were obtained as 99.3% or higher. Results show good prediction performance and low model complexity, and also provided a valuable reference for designing small dedicated instruments. The proposed method is a promising tool for large-scale inspection of liquor food safety.
文摘Using visible and near-infrared (Vis-NIR) spectroscopy combined with partial least squares (PLS) regression, the rapid reagent-free analysis model for chromium (Cr) content in tideland reclamation soil in the Pearl River Delta, China was established. Based on Savitzky-Golay (SG) smoothing and PLS regression, a multi-parameters optimization platform (SG-PLS) covering 264 modes was constructed to select the appropriately spectral preprocessing mode. The optimal SG-PLS model was determined according to the prediction effect. The selected optimal parameters <em>d, p, m</em> and LV were 2, 6, 23 and 8, respectively. Using the validation samples that were not involved in modeling, the root mean square error (SEP<sub>V</sub>), relative root mean square error (R-SEP<sub>V</sub>) and correlation coefficients (R<sub>P, V</sub>) of prediction were 11.66 mg<span style="white-space:nowrap;">·</span>kg<sup>-1</sup>, 10.7% and 0.722, respectively. The results indicated that the feasibility of using Vis-NIR spectroscopy combined with SG-PLS method to analyze soil Cr content. The constructed multi-parameters optimization platform with SG-PLS is expected to be applied to a wider field of analysis. The rapid detection method has important application values to large-scale agricultural production.
文摘Near-infrared (NIR) spectroscopy was applied to reagent-free quantitative analysis of polysaccharide of a brand product of proprietary Chinese medicine (PCM) oral solution samples. A novel method, called absorbance upper optimization partial least squares (AUO-PLS), was proposed and successfully applied to the wavelength selection. Based on varied partitioning of the calibration and prediction sample sets, the parameter optimization was performed to achieve stability. On the basis of the AUO-PLS method, the selected upper bound of appropriate absorbance was 1.53 and the corresponding wavebands combination was 400 - 1880 & 2088 - 2346 nm. With the use of random validation samples excluded from the modeling process, the root-mean-square error and correlation coefficient of prediction for polysaccharide were 27.09 mg·L<sup>-</sup><sup>1</sup> and 0.888, respectively. The results indicate that the NIR prediction values are close to those of the measured values. NIR spectroscopy combined with AUO-PLS method provided a promising tool for quantification of the polysaccharide for PCM oral solution and this technique is rapid and simple when compared with conventional methods.
文摘The identification of soy sauce adulteration can avoid fraud, and protect the rights and interests of producers and consumers. Based on two measurement models (1 mm, 10 mm), the visible and near-infrared (Vis-NIR) spectroscopy combined with standard normal variate-partial least squares-discriminant analysis (SNV-PLS-DA) was used to establish the discriminant analysis models for adulterated and brewed soy sauces. Chubang soy sauce was selected as an identification brand (negative, 70). The adulteration samples (positive, 72) were prepared by mixing Chubang soy sauce and blended soy sauce with different adulteration rates. Among them, the “blended soy sauce” sample was concocted of salt water (NaCl), monosodium glutamate (C<sub>5</sub>H<sub>10</sub>NNaO<sub>5</sub>) and caramel color (C<sub>6</sub>H<sub>8</sub>O<sub>3</sub>). The rigorous calibration-prediction-validation sample design was adopted. For the case of 1 mm, five waveband models (visible, short-NIR, long-NIR, whole NIR and whole scanning regions) were established respectively;in the case of 10 mm, three waveband models (visible, short-NIR and visible-short-NIR regions) for unsaturated absorption were also established respectively. In independent validation, the models of all wavebands in the cases of 1 mm and 10 mm have achieved good discrimination effects. For the case of 1 mm, the visible model achieved the optimal validation effect, the validation recognition-accuracy rate (RAR<sub>V</sub>) was 99.6%;while in the case of 10 mm, both the visible and visible-short-NIR models achieved the optimal validation effect (RAR<sub>V</sub> = 100%). The detection method does not require reagents and is fast and simple, which is easy to promote the application. The results can provide valuable reference for designing small dedicated spectrometers with different measurement modals and different spectral regions.
基金Supported by the Chinese National Natural Science Foundation(Study on Differences between the Deficiency-Constitution and Access-Constitution Obesity based on Inhibition at Initiation and Degradation Step of Macrophages Autophagy and Its Epigenetic Regulation Mechanisms,No.81030064)the Beijing Natural Science Foundation(Mechanism of Phlegm-dampness Constitution Turning to Mebabolic Disorders and Effect on Recipe for Reducing Phlegm and Expelling Dampness Based on Technigue of MIcro RNA Chip,No.7162118)
文摘OBJECTIVE: To establish a quantitative model for the online analysis of hesperidin content in the extraction process of Huatan Qushi decoction for individuals with phlegm-dampness constitution by using near-infrared(NIR) spectroscopy and partial least squares(PLS) methods.METHODS: The reference content of hesperidin, an effective ingredient of Huatan Qushi decoction,was determined using high-performance liquid chromatography(HPLC). The modeling band was selected using synergy interval PLS(Si PLS) algorithms, and a PLS model demonstrating the relationship between NIR predictive values and HPLC reference values was established. The optimal modeling route was selected through global optimization of process trace parameters.RESULTS: The root mean square error of cross-validation was 9.8410. The coefficients of determination of the calibration set and prediction set were0.9860(R2 cal) and 0.9458(R_(cal)~2), respectively. The residual predictive deviation was 3.0115. The parameters demonstrated high predictive capability and reliability. The band was selected via the Si PLS method. There were seven latent variables.CONCLUSION: This study provides a favorable comprehensive evaluation method for variable selection and quality control of the Traditional Chinese Medicine extraction process.
文摘Functional near-infrared spectroscopy(fNIRS)is a neuroimaging technology which is suitable for psychiatric patients.Several fNIRS studies have found abnormal brain activations during cognitive tasks in elderly depression.In this paper,we proposed a discriminative model of multivariate pattern classification based on fNIRS signals to distinguish elderly depressed patients from healthy controls.This model used the brain activation patterns during a verbal fluency task as features of classification.Then Pseudo-Fisher Linear Discriminant Analysis was performed on the feature space to generate discriminative model.Using leave-one-out(LOO)cross-validation,our results showed a correct classification rate of 88%.The discriminative model showed its ability to identify people with elderly depression and suggested that fNIRS may be an efficient clinical tool for diagnosis of depression.This study may provide the first step for the development of neuroimaging biomarkers based on fNIRS in psychiatric disorders.
文摘Near-infrared spectroscopy coupled with kernel partial least squares-discriminant analysis was used to rapidly screen water containing malathion. In the wavenumber of 4348 cm-1 to 9091 cm-1, the overall correct classification rate of kernel partial least squares-discriminant analysis was 100% for training set, and 100% for test set, with the lowest concentration detected malathion residues in water being 1 μg·ml-1. Kernel partial least squares-discriminant analysis was able to have a good performance in classifying data in nonlinear systems. It was inferred that Near-infrared spectroscopy coupled with the kernel partial least squares-discriminant analysis had a potential in rapid screening other pesticide residues in water.
基金The Pre-Research Foundation of National Ministries andCommissions (No9140A16050109DZ01)the Scientific Research Program of the Education Department of Shanxi Province (No09JK701)
文摘In order to overcome the shortcomings that the reconstructed spectral reflectance may be negative when using the classic principal component analysis （PCA）to reduce the dimensions of the multi-spectral data, a nonnegative constrained principal component analysis method is proposed to construct a low-dimensional multi-spectral space and accomplish the conversion between the new constructed space and the multispectral space. First, the reason behind the negative data is analyzed and a nonnegative constraint is imposed on the classic PCA. Then a set of nonnegative linear independence weight vectors of principal components is obtained, by which a lowdimensional space is constructed. Finally, a nonlinear optimization technique is used to determine the projection vectors of the high-dimensional multi-spectral data in the constructed space. Experimental results show that the proposed method can keep the reconstructed spectral data in [ 0, 1 ]. The precision of the space created by the proposed method is equivalent to or even higher than that by the PCA.
基金supported by the National Natural Science Foundation of China(No.91441110)
文摘Abstract The continuously rotating detonation engine （CRDE） is a new concept of engines for air- craft and spacecraft. Quasi-stable continuously rotating detonation （CRD） can be observed in an annular combustion chamber, but the sustaining, stabilizing and adjusting mechanisms are not yet clear. To learn more deeply into the CRDE, experimental studies have been carried out to inves- tigate hydrogen-oxygen CRDE. Pressure histories are obtained during each shot, which show that stable CRD waves are generated in the combustor, when feeding pressures are higher than 0.5 MPa for fuel and oxidizer, respectively. Each shot can keep running as long as fresh gas feeding main- tains. Close-up of the pressure history shows the repeatability of pressure peaks and indicates the detonation velocity in hydrogen-oxygen CRD, which proves the success of forming a stable CRD in the annular chamber. Spectrum of the pressure history matches the close-up analysis and confirms the CRD. It also shows multi-wave phenomenon and affirms the fact that in this case a single detonation wave is rotating in the annulus. Moreover, oscillation phenomenon is found in pressure peaks and a self-adjusting mechanism is proposed to explain the phenomenon.
基金The paper was supported by the National 863 High Technology Develpoment Plan Project(Grant No.2001AA602015)
文摘The spectral methods and ice-induced fatigue analysis are discussed based on Miner＇s linear cumulative fatigue hypothesis and S-N curve data. According to the long-term data of full-scale tests on the platforms in the Bohai Sea, the ice force spectrum of conical structures and the fatigue environmental model are established. Moreover, the finite element model of JZ20-2MSW platform, an example of ice-induced fatigue analysis, is built with ANSYS software. The mode analysis and dynamic analysis in frequency domain under all kinds of ice fatigue work conditions are carded on, and the fatigue life of the structure is estimated in detail. The methods in this paper can be helpful in ice-induced fatigue analysis of ice-resistant platforms.
基金supported by the National Natural Science Foundation of China(No.22276139)the Shanghai’s Municipal State-owned Assets Supervision and Administration Commission(No.2022028).
文摘To better understand the migration behavior of plastic fragments in the environment,development of rapid non-destructive methods for in-situ identification and characterization of plastic fragments is necessary.However,most of the studies had focused only on colored plastic fragments,ignoring colorless plastic fragments and the effects of different environmental media(backgrounds),thus underestimating their abundance.To address this issue,the present study used near-infrared spectroscopy to compare the identification of colored and colorless plastic fragments based on partial least squares-discriminant analysis(PLS-DA),extreme gradient boost,support vector machine and random forest classifier.The effects of polymer color,type,thickness,and background on the plastic fragments classification were evaluated.PLS-DA presented the best and most stable outcome,with higher robustness and lower misclassification rate.All models frequently misinterpreted colorless plastic fragments and its background when the fragment thickness was less than 0.1mm.A two-stage modeling method,which first distinguishes the plastic types and then identifies colorless plastic fragments that had been misclassified as background,was proposed.The method presented an accuracy higher than 99%in different backgrounds.In summary,this study developed a novel method for rapid and synchronous identification of colored and colorless plastic fragments under complex environmental backgrounds.
基金Project supported by the National Natural Science Foundation of China.
文摘Response spectral moments are useful for system reliability analysis.Usually,spectral mo- ments are calculated by the frequency domain method.Based on the time domain modal analysis of random vibrations,the authors present a new method for calculating response spectral moments through response correlation functions.The method can be applied to both classical and non-classical damping cases and to three kinds of random excitations,i.e.,white noise,band-limited white noise, and filtered white noise.
基金GrantedbytheNationalNaturalScienceFoundationofChina (No .4 9972 0 5 7)
文摘In this paper, we make use of the functional spectral analysis to infer the periodicity of paleoclimate in the Hongzuisi section since about 15 ka. Through combined analysis of organic carbon isotope and CaCO\-3 content, the law of paleoclimatic evolution of the Hongzuisi section is obtained. There were climatic changes from 10 ka to about 0.1 ka over the last 15 ka. Among these cycles, the cycle of several ka is most remarkable. The result indicates that functional spectral analysis is helpful for paleoclimatic study, which can provide useful information about paleoclimatic reconstruction and future forecast.
