scholarly journals NIR spectroscopy analysis and its applications to polymers analysis (in French)

Analusis ◽  
1998 ◽  
Vol 26 (4) ◽  
pp. 20-28 ◽  
Author(s):  
G. Lachenal
Keyword(s):  
Nir Spectroscopy ◽  
Spectroscopy Analysis

Generalized two-dimensional correlation NIR spectroscopy analysis of the structures on n-propanol and n-butanol

2019 ◽  
Vol 1181 ◽  
pp. 436-443 ◽  
Author(s):  
Hao Liu ◽  
Weiming Zhou ◽  
Dong Ying ◽  
Bingren Xiang ◽  
Pinggan Li
Keyword(s):  
Nir Spectroscopy ◽  
Two Dimensional ◽  
Spectroscopy Analysis

Effects of measurement technique and sample preparation on NIR spectroscopy analysis of livestock slurry and digestates

2015 ◽  
Vol 134 ◽  
pp. 42-54 ◽  
Author(s):  
A. Finzi ◽  
R. Oberti ◽  
A.S. Negri ◽  
F. Perazzolo ◽  
G. Cocolo ◽  
...  
Keyword(s):  
Sample Preparation ◽  
Measurement Technique ◽  
Nir Spectroscopy ◽  
Spectroscopy Analysis

Model Optimization for near-Infrared Spectroscopy Analysis of Chemical Oxygen Demand of Wastewater

2012 ◽  
Vol 500 ◽  
pp. 832-837 ◽  
Author(s):  
Tao Pan ◽  
Wei Wei Chen ◽  
Wen Jie Huang ◽  
Rui Tuo Qu
Keyword(s):  
Chemical Oxygen Demand ◽  
Near Infrared ◽  
Oxygen Demand ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Simultaneous Optimization ◽  
Model Optimization ◽  
Spectroscopy Analysis ◽  
Smoothing Parameters

A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater samples was established by near-infrared (NIR) spectroscopy and partial least square (PLS) method. The optimization of Savitzky-Golay (SG) smoothing modes combined with PLS factor was applied to optimize the model of NIR spectroscopy analysis here. The waveband used for modeling was the combination of 400-1878 nm and 2088-2338 nm. The optimal smoothing parameters were the 5th derivative smoothing, 5th degree polynomial, 17 smoothing points, the optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 7, 33.2 (mg/L) and 0.929 respectively, which was obviously superior to the direct PLS model without SG smoothing and ones based on the whole spectral collecting region 400-2500 nm. This demonstrated that NIR spectroscopy can be applied to the rapid determination of COD of wastewater, large-scale simultaneous optimization selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization of NIR analysis.

scholarly journals The Combined Optimization of Savitzky-Golay Smoothing and Multiplicative Scatter Correction for FT-NIR PLS Models

2013 ◽  
Vol 2013 ◽  
pp. 1-9 ◽  
Author(s):  
Huazhou Chen ◽  
Qiqing Song ◽  
Guoqiang Tang ◽  
Quanxi Feng ◽  
Liang Lin
Keyword(s):  
Latent Variables ◽  
Near Infrared ◽  
Scatter Correction ◽  
Nir Spectroscopy ◽  
Spectroscopy Analysis ◽  
Multiplicative Scatter Correction ◽  
Pls Modeling ◽  
Smoothing Parameters ◽  
Better Than

The combined optimization of Savitzky-Golay (SG) smoothing and multiplicative scatter correction (MSC) were discussed based on the partial least squares (PLS) models in Fourier transform near-infrared (FT-NIR) spectroscopy analysis. A total of 5 cases of separately (or combined) using SG smoothing and MSC were designed and compared for optimization. For every case, the SG smoothing parameters were optimized with the number of PLS latent variables (F), with an expanded number of smoothing points. Taking the FT-NIR analysis of soil organic matter (SOM) as an example, the joint optimization of SG smoothing and MSC was achieved based on PLS modeling. The results showed that the optimal pretreatment was successively using SG smoothing and MSC, in which the SG smoothing parameters were 4th degree of polynomial, 2nd-order derivative, and 67 smoothing points, the best corresponding F, RMSEP, and RP were 7, 0.3982 (%), and 0.8862, respectively. This result was far better than those without any pretreatment. The combined optimization of SG smoothing and MSC could obviously improve the modeling result for NIR analysis of SOM. In addition, a new method for the classification of calibration and prediction was proposed by normalization principle. The optimizations were done on this basis of this classification.

Waveband Selection for NIR Spectroscopy Analysis of Wastewater COD

2011 ◽  
Vol 480-481 ◽  
pp. 393-396 ◽  
Author(s):  
Tao Pan ◽  
Wei Wei Chen ◽  
Zeng Hai Chen ◽  
Jun Xie
Keyword(s):  
Model Prediction ◽  
Near Infrared ◽  
Oxygen Demand ◽  
Nir Spectroscopy ◽  
Model Complexity ◽  
Moving Window ◽  
Optimal Model ◽  
Spectroscopy Analysis ◽  
Selection For ◽  
Selection Of

Waveband selection of near-infrared (NIR) spectroscopy analysis of wastewater chemical oxygen demand (COD) by moving window partial least squares (MWPLS) method with changeable size, the optimization of PLS factor was combined with MWPLS method. According to the prediction effect, the optimal model was selected, and the corresponding waveband, number of adopted wavelengths, PLS factor, RMSEP, RP were 820-850nm, 16, 13, 25.5 mg/L, and 0.968 respectively, which was obviously superior to the optimal PLS model on the whole spectral collecting region. The result shows that the MWPLS method can improve the model prediction effect, reduce model complexity, and provide valuable reference for designing special NIR spectrometer.

scholarly journals FT-NIR spectroscopy analysis for monitoring the microbial production of 2-phenylethanol using crude glycerol as carbon source

LWT ◽  
2021 ◽  
pp. 112951
Author(s):  
C. Quintelas ◽  
A. Braga ◽  
A. Cordeiro ◽  
E.C. Ferreira ◽  
I. Belo ◽  
...  
Keyword(s):  
Carbon Source ◽  
Crude Glycerol ◽  
Nir Spectroscopy ◽  
Microbial Production ◽  
Spectroscopy Analysis

Waveband Selection of NIR Spectroscopy Analysis for Glucose Aqueous Solution Based on Savitzky-Golay Smoothing

2011 ◽  
Vol 181-182 ◽  
pp. 712-716
Author(s):  
Tao Pan ◽  
Guo Qiang Jiang ◽  
Jie Mei Chen
Keyword(s):  
Aqueous Solution ◽  
Model Prediction ◽  
Large Scale ◽  
Near Infrared ◽  
Signal To Noise Ratio ◽  
Nir Spectroscopy ◽  
Simultaneous Optimization ◽  
High Signal ◽  
Good Prediction ◽  
Spectroscopy Analysis

The high accurate partial least squares (PLS) models of near-infrared (NIR) spectroscopy analysis for glucose aqueous solution were established by large-scale simultaneous optimization of Savitzky-Golay (SG) smoothing mode and PLS factor. A total of 6 wavebands were used for modelling respectively. The model prediction effect with SG smoothing was obviously better than ones without SG smoothing for each waveband, it indicated that the large-scale simultaneous optimization of SG smoothing mode and PLS factor could obviously improve model prediction effect. The optimal waveband was the combination of 400-1880 and 2082-2350 nm, the optimal SG smoothing mode was 1st order derivative smoothing, 2nd degree polynomial, 63 smoothing points, and the corresponding PLS factor, RMSEP and RP were 14, 0.289 mmol/L and 0.9996 respectively. The combination of 1100-1880 and 2082-2350 nm was also a waveband with high signal to noise ratio for glucose, could replace the whole spectral collecting region and get very good prediction effect, which could provide valuable references for designing spectrophotometer system in special NIR spectrometer. To get the stable prediction results, all models and results were obtained based on the average data on 30 different divisions of calibration set and prediction set.

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