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Near Infrared Spectroscopy (NIRS) Model-Based Prediction for Protein Content in Cowpea
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作者 Kavera Biradar Waltram Ravelombola +1 位作者 Aurora Manley Caroline Ruhl 《American Journal of Plant Sciences》 CAS 2024年第3期145-160,共16页
Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models... Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models to estimate protein content in cowpea. A total of 116 cowpea breeding lines with a wide range of protein contents (19.28 % to 32.04%) were selected to build the model using whole seed and ground seed samples. Partial least-squares discriminant analysis (PLS-DA) regression technique with different pre-treatments (derivatives, standard normal variate, and multiplicative scatter correction) were carried out to develop the protein prediction model. Results showed: 1) spectral plots of both the whole seed and ground seed showed higher spectral scatter at higher wavelengths (>1450 nm), 2) data pre-processing affects prediction accuracy for bot whole seed and ground seed samples, 3) prediction using ground seed samples (0.64 R<sup>2</sup> 0.85) is better than the whole seed (0.33 R<sup>2</sup> 0.78), and 4) the data pre-processing second derivative with standard normal variate has the best prediction (R<sup>2</sup>_whole seed = 0.78, R<sup>2</sup>_ground seed = 0.85). The results will be of interest in cowpea breeding programs aimed at improving total seed protein content. 展开更多
关键词 COWPEA GERMPLASM PROTEIN Near-infrared spectroscopy (nirs) Partial Least Squares (PLS)
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RAPID DETERMINATION OF PROTEIN IN MILLET BY FOURIER TRANSFORM NEAR-INFRARED(FTNIR)DIFFUSE REFLECTANCE SPECTROSCOPY
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作者 Le Ming SHI Zhi Hong XU Zhong Xiao PAN Zhi Liang LI Laboratory of Computer Chemistry,Institute of Chemical Metallurgy,Chinese Academy of Sciences,Beijing 100080 Yan Lu YAN Mao JIN Central Laboratory,Beijing Agricultural University,Beijing 100094 《Chinese Chemical Letters》 SCIE CAS CSCD 1990年第3期247-250,共4页
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
关键词 PLS nir FTnir)DIFFUSE reflectance spectroscopy RAPID DETERMINATION OF PROTEIN IN MILLET BY FOURIER TRANSFORM NEAR-infrared
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Discrimination of Transgenic Rice Based on Near Infrared Reflectance Spectroscopy and Partial Least Squares Regression Discriminant Analysis 被引量:6
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作者 ZHANG Long WANG Shan-shan +2 位作者 DING Yan-fei PAN Jia-rong ZHU Cheng 《Rice science》 SCIE CSCD 2015年第5期245-249,共5页
Near infrared reflectance spectroscopy (NIRS), a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA) to discriminate the transgenic (TCTP and mi... Near infrared reflectance spectroscopy (NIRS), a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA) to discriminate the transgenic (TCTP and mi166) and wild type (Zhonghua 11) rice. Furthermore, rice lines transformed with protein gene (OsTCTP) and regulation gene (Osmi166) were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000-8 000 cm-1 and 4 000-10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice. 展开更多
关键词 near infrared reflectance spectroscopy genetically-modified food regulation gene protein gene partial least squares regression discrimiant analysis
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Application of Near Infrared Diffuse Reflectance Spectroscopy with Radial Basis Function Neural Network to Determination of Rifampincin Isoniazid and Pyrazinamide Tablets 被引量:3
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作者 DU Lin-na WU Li-hang +5 位作者 LU Jia-hui GUO Wei-liang MENG Qing-fan JIANG Chao-jun SHEN Si-le TENG Li-rong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2007年第5期518-523,共6页
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
关键词 Rifampicin isoniazid and pyrazinamide tablets nir diffuse reflectance spectroscopy Partial least square Back-propagation neural network Radial basis function neural network
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Geographic Classification of Chinese Grape Wines by Near-Infrared Reflectance Spectroscopy 被引量:1
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作者 赵芳 赵育 +1 位作者 毛文华 战吉宬 《Journal of Donghua University(English Edition)》 EI CAS 2012年第1期40-45,共6页
Near-infrared reflectance spectroscopy (NIRS) was applied to classify grape wines of different geographical origins (Changli, Huailai, and Yantai, China). Near infrared (NIR) spectra were collected in transmission mod... Near-infrared reflectance spectroscopy (NIRS) was applied to classify grape wines of different geographical origins (Changli, Huailai, and Yantai, China). Near infrared (NIR) spectra were collected in transmission mode in the wavelength range of 800-2500 nm. Wines (n=90) were randomly split into two sets, calibration set (n=54) and validation set (n=36). Discriminant analysis models were developed using BP neural network and discriminant partial least-squares discriminant analysis (PLS-DA). The prediction performance of calibration models in different wavelength range was also investigated. BP neural network models and PLS-DA models correctly classified 100% of the wines in calibration set. When used to predict wines in validation set, BP neural network models correctly classified 100%, 81.8%, and 90.9% of the wines from Changli, Huailai, and Yantai respectively, and PLS-DA models correctly classified 100% of all samples. The results demonstrated that NIRS could be used to discriminate Chinese grape wines as a rapid and reliable method. 展开更多
关键词 near-infrared reflectance spectroscopy (nirs) Chinese grape wines discriminant analysis models BP neural network PLS-DA
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Quantitative Analysis of Berberine in Processed Coptis by Near-Infrared Diffuse Reflectance Spectroscopy 被引量:4
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作者 ZHANG Yong XIE Yun-fei +3 位作者 SONG Feng-rui LIU Zhi-qiang CONG Qian ZHAO Bing 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2008年第6期717-721,共5页
The near-infrared(NIR) diffuse reflectance spectroscopy was used to study the content of Berberine in the processed Coptis. The allocated proportions of Coptis to ginger, yellow liquor or Evodia rutaecarpa changed a... The near-infrared(NIR) diffuse reflectance spectroscopy was used to study the content of Berberine in the processed Coptis. The allocated proportions of Coptis to ginger, yellow liquor or Evodia rutaecarpa changed according to the results of orthogonal design as well as the temperature. For as withdrawing the full and effective information from the spectral data as possible, the spectral data was preprocessed through first derivative and multiplicative scatter correetion(MSC) according to the optimization results of different preprocessing methods. Firstly, the model was established by partial least squares(PLS); the coefficient of determination(R2) of the prediction was 0.839, the root mean squared error of prediction(RMSEP) was 0.1422, and the mean relative error(RME) was 0.0276. Secondly, for reducing the dimension and removing noise, the spectral variables were highly effectively compressed via the wavelet transformation(WT) technology and the Haar wavelet was selected to decompose the spectral signals. After the wavelet coefficients from WT were input into the artificial neural network(ANN) instead of the spectra signal, the quantitative analysis model of Berberine in processed Coptis was established. The R^2 of the model was 0.9153, the RMSEP was 0.0444, and the RME was 0.0091. The values of appraisal index, namely R^2, RMSECV, and RME, indicate that the generalization ability and prediction precision of ANN are superior to those of PLS. The overall results show that NIR spectroscopy combined with ANN can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in Coptis. Accordingly, the result can provide technical support for the further analysis of Berberine and other components in processed Coptis. Simultaneously, the research can also offer the foundation of quantitative analysis of other NIR application. 展开更多
关键词 Near-infrarednir spectroscopy Partial least squares Artificial neural network Wavelet transformation BERBERINE
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Determination of Protein and Starch Content in Whole Maize Kernel by Near Infrared Reflectance Spectroscopy 被引量:2
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作者 WEILiang-ming YANYan-lu DAIJing-rui 《Agricultural Sciences in China》 CAS CSCD 2004年第7期490-495,共6页
Using 128 bulk-kernel samples of inbred lines and hybrids, a study was conducted toinvestigate the feasibility and method of measuring protein and starch contents inintact seeds of maize by near infrared reflectance s... Using 128 bulk-kernel samples of inbred lines and hybrids, a study was conducted toinvestigate the feasibility and method of measuring protein and starch contents inintact seeds of maize by near infrared reflectance spectroscopy (NIRS). The chemometricalgorithms of partial least square (PLS) regression was used. The results indicated thatthe calibration models developed by the spectral data pretreatment of firstderivative+multivariate scattering correction within the spectral region of 10000-4000cm-1, and first derivative + straight line subtraction in 9000-4000cm-1 were thebest for protein and starch, respectively. All these models yielded coefficients ofdetermination of calibration (R2cal) above 0.97, while R2cv and R2val of cross and externalvalidation ranged from 0.92 to 0.95, respectively; however, the root of mean squareerrors of calibration, cross and external validation (RMSEE, RMSECV and RMSEP) werebelow 1(ranged 0.3-0.7),respectively. This study demonstrated that it is feasible touse NIRS as a rapid, accurate, and none-destructive technique to predict protein andstarch contents of whole kernel in the maize quality improvement program. 展开更多
关键词 Maize Near infrared reflectance spectroscopy (nirs) Protein and starch Calibration model
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Use of near-infrared reflectance spectroscopy for the rapid determination of the digestible energy and metabolizable energy content of corn fed to growing pigs 被引量:4
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作者 Juntao Li Quanfeng Li +4 位作者 Defa Li Yiqiang Chen Xiaoxiao Wang Wenjun Yang Liying Zhang 《Journal of Animal Science and Biotechnology》 SCIE CAS CSCD 2017年第1期161-169,共9页
Background: The ability of near-infrared reflectance spectroscopy(NIRS) to determine the digestible energy(DE)and metabolizable energy(ME) content of corn fed to growing pigs was tested. One hundred and sevente... Background: The ability of near-infrared reflectance spectroscopy(NIRS) to determine the digestible energy(DE)and metabolizable energy(ME) content of corn fed to growing pigs was tested. One hundred and seventeen corn samples, comprising different planting regions and varieties were collected from all over China in a three-year period. The samples were randomly split into a calibration set(n = 88) and a validation set(n = 29). The actual and calculated DE and ME content of the corn samples was determined by digestion-metabolism experiments and the prediction equations of Noblet and Perez(J Anim Sci. 71:3389–98,1993). The samples were then subjected to NIRS scanning and calibrations were performed by the modified partial least square(MPLS) regression method based on77 different spectral pre-treatments. The NIRS equations based on the actually determined and calculated DE and ME were built separately and then validated using validation samples.Results: The NIRS equations obtained from actually determined DE, the coefficient of determination for calibration(RSQcal), cross-validation(R^2CV), and validation(RSQv) were 0.89, 0.87 and 0.86, and these values for determined ME were 0.87, 0.86 and 0.86. For the NIRS equations built from calculated DE, the RSQcal, R^2CV, and RSQvvalues were 0.88, 0.85 and 0.84, and these values for calculated ME were 0.86, 0.84 and 0.82. Except for the equation based on calculated ME(RPD_v= 2.38, 〈 2.50), the other three equations built from actually determined energy and calculated DE produced good prediction performance(RPD_vranging from 2.53 to 2.69, 〉 2.50) when applied to validation samples.Conclusion: These results indicate that NIRS can be used as a quantitative method for the rapid determination of the available energy in corn fed to growing pigs, and the NIRS equations based on the actually determined energy produced better predictive performance than those built from calculated energy values. 展开更多
关键词 Corn Digestible energy Growing pigs Metabolizable energy Near-infrared reflectance spectroscopy
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Simulation and Modelling of near Infrared Spectroscopy (NIRS) as Brain Monitor
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作者 Mohamed Shaaban Ali 《Spectral Analysis Review》 2014年第2期3-5,共3页
Near infrared spectroscopy (NIRS) is a method for non-invasive monitoring of cerebral oxygenation and haemodynamics. Different devices provide information on changes of oxygenated (HbO2) and deoxygenated haemoglobin (... Near infrared spectroscopy (NIRS) is a method for non-invasive monitoring of cerebral oxygenation and haemodynamics. Different devices provide information on changes of oxygenated (HbO2) and deoxygenated haemoglobin (HHb), oxidized cytochrome aa3 (CytOx) or regional oxygen saturation (rSO2). NIRS has been used during adult and paediatric cardiac surgery. 展开更多
关键词 NEAR infrared spectroscopy (nirs)
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Investigation of Prefrontal Cortex Activity in University Students with Presenteeism: A Near-Infrared Spectroscopy (NIRS) Study
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作者 Masateru Matsushita Schuhei Yamamura Manabu Ikeda 《Journal of Behavioral and Brain Science》 2015年第9期339-347,共9页
Presenteeism refers to impaired performance attributed to attending work with health problems. There has been no study examining the state of presenteeism with objective measures. We compared cerebral hemodynamic chan... Presenteeism refers to impaired performance attributed to attending work with health problems. There has been no study examining the state of presenteeism with objective measures. We compared cerebral hemodynamic changes, measured by near-infrared spectroscopy (NIRS), during neuropsychological tests conducted by university students with presenteeism and healthy controls. Twenty-two university students participated in the study;11 of them with impaired performance caused by mental health problem were allocated to the presenteeism group and 11 without health problems to the control group. Presenteeism was assessed by the Presenteeism Scale for Students. To evoke hemodynamics changes, the participants completed a Word Fluency Test (WFT) and a Trail Making Test (TMT). The NIRS probes were located over the bilateral prefrontal area. Students with presenteeism had significantly higher incidences of depression than controls. However, there was no significant difference in behavioral performance examinations between the two groups. With regard to hemodynamics changes, the repeated measures analysis of covariance of the NIRS signals revealed significant interactions between group and task activation. Although we observed a significant increase in oxygenated hemoglobin concentration during the WFT among controls (simple main effect;left channel, F(1, 19) = 27.34, P F(1, 19) = 22.05, P < 0.001), no changes were found in students with presenteeism during either the WFT (simple main effect;left channel, F(1, 19) = 0.12, P F(1, 19) = 0.08, P t = ﹣0.94, P with Bonferroni correction = 0.745;right channel, t = ﹣2.19, P with Bonferroni correction < 0.113). This is the first study to reveal differences in activity in the cerebral cortex associated with presenteeism. The fact that students with presenteeism have prefrontal dysfunction might reinforce the concept of presenteeism. 展开更多
关键词 ABSENTEEISM ADOLESCENT Health NEAR-infrared spectroscopy (nirs) PRESENTEEISM School REFUSAL
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Correlation of prefrontal activity measured by near-infrared spectroscopy (NIRS) with mood, BDNF genotype and serum BDNF level in healthy individuals
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作者 Daisuke Matsuzawa Kotaro Takeda +8 位作者 Hiroyuki Ohtsuka Jun Takasugi Takashi Watanabe Junko Maeda Saeka Nagakubo Chihiro Sutoh Ichiro Shimoyama Ken Nakazawa Eiji Shimizu 《Open Journal of Psychiatry》 2012年第3期194-203,共10页
Depression has been known to reduce the prefrontal activity associated with the execution of certain cognitive tasks, although whether a temporarily depressed or anxious mood in healthy individuals affects the prefron... Depression has been known to reduce the prefrontal activity associated with the execution of certain cognitive tasks, although whether a temporarily depressed or anxious mood in healthy individuals affects the prefrontal blood oxygen level during cognitive tasks is unknown. Combining the measurement of prefrontal activity with near-infrared spectroscopy (NIRS) and the two cognitive tasks, namely the letter version of the verbal fluency test (VFT-l) and the Stroop test, we measured the effect of a depressed or anxious mood and gender on the changes in the prefrontal oxygenated hemoglobin (Oxy-Hb) levels during those cognitive tests in healthy individuals. Depressed mood or anxious mood was assessed by the Hospital Anxiety and Depression Scale (HADS). Thereby we aimed to explore the possibility of NIRS measurement for detecting the early subclinical manifestation of major depression. Moreover, we examined the possible relationships between prefrontal activation and the functional Val66Met polymorphisms of the brain derived neurotropic factor (BDNF) gene and serum BDNF level. As a result, the increased prefrontal Oxy-Hb levels during cognitive tasks were significantly correlated with the severity of depressed mood in males. The course of the prefrontal Oxy-Hb increase was different depending on the cognitive tasks, i.e., the VFT-l or the Stroop test, in both genders. Correlations of BDNF genotype and serum BDNF level with the prefrontal Oxy-Hb levels during those cognitive tasks were negative. Our results suggest that the early subclinical manifestation of depressed mood in males might be detected by the NIRS measurement, which is not correlated with the individual properties of BDNF. 展开更多
关键词 NEAR-infrared spectroscopy (nirs) Depression ANXIETY Brain Derived Neurotropic Factor (BDNF)
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Near-infrared spectroscopy method for rapid proximate quantitative analysis of nutrient composition in Pacific oyster Crassostrea gigas
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作者 Zhe LI Haigang QI +4 位作者 Ying YU Cong LIU Rihao CONG Li LI Guofan ZHANG 《Journal of Oceanology and Limnology》 SCIE CAS CSCD 2023年第1期342-351,共10页
Glycogen,amino acids,fatty acids,and other nutrient components affect the flavor and nutritional quality of oysters.Methods based on near-infrared reflectance spectroscopy(NIRS)were developed to rapidly and proximatel... Glycogen,amino acids,fatty acids,and other nutrient components affect the flavor and nutritional quality of oysters.Methods based on near-infrared reflectance spectroscopy(NIRS)were developed to rapidly and proximately determine the nutrient content of the Pacific oyster Crassostreagigas.Samples of C.gigas from 19 costal sites were freeze-dried,ground,and scanned for spectral data collection using a Fourier transform NIR spectrometer(Thermo Fisher Scientific).NIRS models of glycogen and other nutrients were established using partial least squares,multiplication scattering correction first-order derivation,and Norris smoothing.The R_(C) values of the glycogen,fatty acids,amino acids,and taurine NIRS models were 0.9678,0.9312,0.9132,and 0.8928,respectively,and the residual prediction deviation(RPD)values of these components were 3.15,2.16,3.11,and 1.59,respectively,indicating a high correlation between the predicted and observed values,and that the models can be used in practice.The models were used to evaluate the nutrient compositions of 1278 oyster samples.Glycogen content was found to be positively correlated with fatty acids and negatively correlated with amino acids.The glycogen,amino acid,and taurine levels of C.gigas cultured in the subtidal and intertidal zones were also significantly different.This study suggests that C.gigas NIRS models can be a cost-effective alternative to traditional methods for the rapid and proximate analysis of various slaughter traits and may also contribute to future genetic and breeding-related studies in Pacific oysters. 展开更多
关键词 Pacific oyster Crassostrea gigas near-infrared reflectance spectroscopy(nirs) nutrient composition rapid determination
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Process Characterization of the Transesterification of Rapeseed Oil to Biodiesel Using Design of Experiments and Infrared Spectroscopy
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作者 Tobias Drieschner Andreas Kandelbauer +1 位作者 Bernd Hitzmann Karsten Rebner 《Journal of Renewable Materials》 SCIE EI 2023年第4期1643-1660,共18页
For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the proc... For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the process and results in a mathematical description of the process behavior as a simple function based on the most important process factors can help to achieve higher production efficiency and quality.The present study aims at characterizing a well-known industrial process,the transesterification reaction of rapeseed oil with methanol to produce fatty acid methyl esters(FAME)for usage as biodiesel in a continuous micro reactor set-up.To this end,a design of experiment approach is applied,where the effects of two process factors,the molar ratio and the total flow rate of the reactants,are investigated.The optimized process target response is the FAME mass fraction in the purified nonpolar phase of the product as a measure of reaction yield.The quantification is performed using attenuated total reflection infrared spectroscopy in combination with partial least squares regression.The data retrieved during the conduction of the DoE experimental plan were used for statistical analysis.A non-linear model indicating a synergistic interaction between the studied factors describes the reactor behavior with a high coefficient of determination(R^(2))of 0.9608.Thus,we applied a PAT approach to generate further insight into this established industrial process. 展开更多
关键词 Process analytical technology TRANSESTERIFICATION design of experiment attenuated total reflection infrared spectroscopy partial least square regression
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Application of NIR Reflectance Spectroscopy on Rapid Determination of Moisture Content of Wood Pellets 被引量:1
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作者 Jaya Sundaram Sudhagar Mani +1 位作者 Chari V. K. Kandala Ronald A. Holser 《American Journal of Analytical Chemistry》 2015年第12期923-932,共10页
NIR spectroscopy was used to measure the moisture concentration of wood pellets. Pellets were conditioned to various moisture levels between 0.63% and 14.16% (wet basis) and the moisture concentration was verified usi... NIR spectroscopy was used to measure the moisture concentration of wood pellets. Pellets were conditioned to various moisture levels between 0.63% and 14.16% (wet basis) and the moisture concentration was verified using a standard oven method. Samples from various moisture levels were separated into two groups, as calibration and validation sets. NIR absorption spectral data from 400 nm to 2500 nm with 0.5 nm intervals were collected using pellets within the calibration and validation sample sets. Spectral wavelength ranges were taken as independent variables and the MC of the pellets as the dependent variable for the analysis. Measurements were obtained on 30 replicates within each moisture level. Partial Least Square (PLS) analysis was performed on both raw and preprocessed spectral data of calibration set to determine the best calibration model based on Standard Error of Calibration (SEC) and coefficient of multiple determinations (R2). The PLS model that yielded the best fit was used to predict the moisture concentration of validation group pellets. Relative Percent Deviation (RPD) and Standard Error of Prediction (SEP) were calculated to validate goodness of fit of the prediction model. Baseline and Multiple Scatter Corrected (MSC) reflectance spectra with 1st derivative model gave the highest RPD value of 4.46 and R2 of 0.95. Also it’s SEP (0.670) and RMSEP (0.782) were less than the other models those had RPD value more than 3.0 with less number of factors. Therefore, this model was selected as the best model for moisture content prediction of wood pellets. 展开更多
关键词 Wood PELLETS nir reflectance spectroscopy MOISTURE Content Partial Least SQUARE RELATIVE PERCENT Deviation
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Rapid, Non-Destructive, Textile Classification Using SIMCA on Diffuse Near-Infrared Reflectance Spectra 被引量:1
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作者 Christopher B. Davis Kenneth W. Busch +2 位作者 Dennis H. Rabbe Marianna A. Busch Judith R. Lusk 《Journal of Modern Physics》 2015年第6期711-718,共8页
Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the ... Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the time at the 95% confidence level (p = 0.05 significance level). In the present study, cotton and silk had a 62% and 24% chance, respectively, of being classified with their own group and also with rayon. SIMCA correctly identified a counterfeit “silk” sample as polyester. When coupled with diffuse NIR reflectance spectroscopy and a large sample library, SIMCA shows considerable promise as a quick, non-destructive, multivariate method for fiber identification. A major advantage is simplicity. No sample pretreatment of any kind was required, and no adjust-ments were made for fiber origin, manufacturing process residues, topical finishes, weave pattern, or dye content. Increasing the sample library should make the models more robust and improve identification rates over those reported in this paper. 展开更多
关键词 DIFFUSE NEAR-infrared (nir) reflectance spectroscopy CHEMOMETRICS Soft Independent Modeling of Class ANALOGY (SIMCA) Pattern Recognition TEXTILE Identification Multivariate Analysis
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NIRS-XRF联用的煤炭发热量高稳定检测 被引量:3
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作者 宋健超 张雷 +2 位作者 马维光 尹王保 贾锁堂 《光学精密工程》 EI CAS CSCD 北大核心 2023年第13期1880-1889,共10页
实时获知煤炭发热量对于及时调整电站锅炉风粉配比和提高煤炭燃烧效率具有重要意义,为了实现电力生产中发热量的稳定快速检测,提出了一种近红外光谱(Near Infrared Spectroscopy, NIRS)与X射线荧光光谱(X-ray Fluorescence, XRF)联用的... 实时获知煤炭发热量对于及时调整电站锅炉风粉配比和提高煤炭燃烧效率具有重要意义,为了实现电力生产中发热量的稳定快速检测,提出了一种近红外光谱(Near Infrared Spectroscopy, NIRS)与X射线荧光光谱(X-ray Fluorescence, XRF)联用的煤炭发热量高稳定检测方法,它结合了NIRS能高稳定检测煤中与发热量正相关的有机基团的优势与XRF能高稳定检测与发热量负相关的成灰元素的特点,大大提高了对煤炭发热量的测量重复性。在光谱预处理中,先将两套光谱融合作为偏最小二乘回归的输入变量进行全谱初步建模,依据回归系数选择NIRS光谱中的有效波段,再将它与XRF光谱中的成灰元素谱线一并融合进行归一化处理。建模时将预处理后的融合光谱数据作为输入变量,利用偏最小二乘回归对煤炭发热量进行建模。实验结果表明,NIRS-XRF联用方法对定标集煤样发热量预测的线性相关度系数(R^(2))为0.995,对验证集煤样发热量预测的最小均方根误差、平均相对误差和标准偏差分别为0.24 MJ/kg,0.61%和0.05 MJ/kg,测量重复性满足小于0.12 MJ/kg的国家标准。NIRS-XRF联用的煤炭发热量高稳定检测方法有望推广应用于火力发电、煤化工、冶金、水泥和焦化等“高碳”行业,助力我国按期实现碳中和目标。 展开更多
关键词 近红外光谱 X射线荧光光谱 光谱融合 煤炭发热量 高稳定检测
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基于LIBS和NIRS信号同步采集和融合的入炉煤发热量测量研究 被引量:1
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作者 茌方 王庆松 +10 位作者 李承峻 杨爱勇 卢伟业 王森 马维喆 窦有权 陈伟泽 张冬练 莫爵徽 卢志民 姚顺春 《热力发电》 CAS CSCD 北大核心 2023年第7期92-98,共7页
快速准确地对入炉煤发热量进行检测是指导电厂经济安全运行的关键,然而煤炭成分复杂,其发热量与元素组成和分子结构都有一定的相关性,单一分析技术快速准确测量入炉煤发热量比较困难。基于激光诱导击穿光谱(LIBS)技术和近红外光谱(NIRS... 快速准确地对入炉煤发热量进行检测是指导电厂经济安全运行的关键,然而煤炭成分复杂,其发热量与元素组成和分子结构都有一定的相关性,单一分析技术快速准确测量入炉煤发热量比较困难。基于激光诱导击穿光谱(LIBS)技术和近红外光谱(NIRS)技术,提出联用2种技术检测入炉煤发热量的方法。同步采集输送带上煤炭的LIBS和NIRS光谱信号,进行光谱数据预处理后融合2种光谱信息,并结合偏最小二乘(PLS)建模方法定量分析煤炭发热量。将该方法用于搭建煤样测量系统,得出煤样发热量定标集的决定系数为0.98,预测集均方根误差为0.37 MJ/kg,平均绝对误差为0.26 MJ/kg,平均相对误差为1.09%。表明所提出的在输送带上LIBS和NIRS信号同步采集方法可快速准确测量入炉煤发热量。 展开更多
关键词 煤炭发热量 输送带 激光诱导击穿光谱 近红外光谱 定量分析
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基于NIRS快速测定苜蓿青干草品质成分 被引量:1
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作者 何庆元 任义 +4 位作者 刘京华 刘丽 杨豪 李正鹏 詹秋文 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2023年第12期3753-3757,共5页
品质性状的化学测定操作繁琐且存在破坏性和耗时较长等不足的问题,光谱测定具有高效、快速、成本低等优点,但测定准确度受到不同仪器以及不同机型的影响。为了建立和优化快速测定苜蓿样品的粗蛋白(CP)、粗脂肪(EE)、酸性洗涤纤维(ADF)... 品质性状的化学测定操作繁琐且存在破坏性和耗时较长等不足的问题,光谱测定具有高效、快速、成本低等优点,但测定准确度受到不同仪器以及不同机型的影响。为了建立和优化快速测定苜蓿样品的粗蛋白(CP)、粗脂肪(EE)、酸性洗涤纤维(ADF)和中性洗涤纤维(NDF)近红外漫反射光谱的模型,更好的测定苜蓿品质性状。选取了25份苜蓿材料147份试验样品,采用傅里叶变换近红外光谱技术(NIRS)扫描,获得扫描光谱范围4 000~10 000cm-1的光谱值,软件TQ Analyst v9选用偏最小二乘法(PLS)和OPUS7.0选用定量2方法建立定量模型并优化,并进一步交叉验证和外部检验评估模型效果。结果表明利用2种软件建立的模型都能很好的预测CP的含量,建模决定系数(R2cal)分别达到0.999 9和0.984 8,交叉验证的均方根误差(RMSECV)分别为2.121和0.471,外部验证决定系数(R2)都大于0.97,残留预测偏差(RPD)值大于6.0。EE应用TQ Analyst v9所建立的模型效果更好,R2cal为0.999 7,RMSECV为1.502,外部验证的R2为0.9293,RPD值为3.89;ADF和NDF利用OPUS7.0建立的模型效果更好,R2cal分别为0.944 1和0.978 8,RMSECV分别为1.040和0.514,外部验证的R2依次为0.914 5和0.911 8,RPD值分别为3.66和3.43。4种品质性状建模效果表明,相对分子结构相对简单的蛋白质和脂肪,利用TQ Analyst v9更准确,而对于分子结构更复杂的纤维素,OPUS7.0的预测效果更好。 展开更多
关键词 苜蓿 近红外反射光谱 营养品质 含量
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Application of near-infrared spectroscopy to predict sweetpotato starch thermal properties and noodle quality 被引量:10
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作者 LU Guo-quan HUANG Hua-hong ZHANG Da-peng 《Journal of Zhejiang University-Science B(Biomedicine & Biotechnology)》 SCIE CAS CSCD 2006年第6期475-481,共7页
Sweetpotato starch thermal properties and its noodle quality were analyzed using a rapid predictive method based on near-infrared spectroscopy (NIRS). This method was established based on a total of 93 sweetpotato gen... Sweetpotato starch thermal properties and its noodle quality were analyzed using a rapid predictive method based on near-infrared spectroscopy (NIRS). This method was established based on a total of 93 sweetpotato genotypes with diverse genetic background. Starch samples were scanned by NIRS and analyzed for quality properties by reference methods. Results of statistical modelling indicated that NIRS was reasonably accurate in predicting gelatinization onset temperature (To) (standard error of prediction SEP=2.014 °C, coefficient of determination RSQ=0.85), gelatinization peak temperature (Tp) (SEP=1.371 °C, RSQ=0.89), gelatinization temperature range (Tr) (SEP=2.234 °C, RSQ=0.86), and cooling resistance (CR) (SEP=0.528, RSQ=0.89). Gelatinization completion temperature (Tc), enthalpy of gelatinization (?H), cooling loss (CL) and swelling degree (SWD), were modelled less well with RSQ between 0.63 and 0.84. The present results suggested that the NIRS based method was sufficiently accurate and practical for routine analysis of sweetpotato starch and its noodle quality. 展开更多
关键词 甘薯 淀粉热性质 面条质量 nirs 光谱分析
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Determination of Active Components in a Natural Herb with Near Infrared Spectroscopy Based on Artificial Neural Networks 被引量:7
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作者 LIUXue-song QUHai-bin CHENGYi-yu 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2005年第1期36-43,共8页
The non-linear relationships between the contents of ginsenoside Rg 1, Rb 1, Rd and Panax notoginseng saponins(PNS) in Panax notoginseng root herb and the near infrared(NIR) diffuse reflectance spectra of the herb wer... The non-linear relationships between the contents of ginsenoside Rg 1, Rb 1, Rd and Panax notoginseng saponins(PNS) in Panax notoginseng root herb and the near infrared(NIR) diffuse reflectance spectra of the herb were established by means of artificial neural networks(ANNs). Four three-layered perception feed-forward networks were trained with an error back-propagation algorithm. The significant principal components of the NIR spectral data matrix were utilized as the input of the networks. The networks architecture and parameters were selected so as to offer less prediction errors. Relative prediction errors for Rg 1, Rb 1, Rd and PNS obtained with the optimum ANN models were 8.99%, 6.54%, 8.29%, and 5.17%, respectively, which were superior to those obtained with PLSR methods. It is verified that ANN is a suitable approach to model this complex non-linearity. The developed method is fast, non-destructive and accurate and it provides a new efficient approach for determining the active components in the complex system of natural herbs. 展开更多
关键词 活性成分 天然药草 近红外线光谱分析 人工神经网络 非线性 PLSR 田七
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