Discrimination of plant samples using near-infrared spectroscopy with a principal component accumulation method

2012 ◽  
Vol 4 (9) ◽  
pp. 2893 ◽  
Author(s):  
Yi Wang ◽  
Xiang Ma ◽  
Yadong Wen ◽  
Jingjing Liu ◽  
Wensheng Cai ◽  
...  
2014 ◽  
Vol 6 (13) ◽  
pp. 4692-4697 ◽  
Author(s):  
Ruifeng Shan ◽  
Zhiyi Mao ◽  
Lihui Yin ◽  
Wensheng Cai ◽  
Xueguang Shao

NIR spectroscopy combined with PCAcc was used to identify 12 classes of Chinese patent medicines.


2019 ◽  
Vol 59 (6) ◽  
pp. 1190 ◽  
Author(s):  
A. Bahri ◽  
S. Nawar ◽  
H. Selmi ◽  
M. Amraoui ◽  
H. Rouissi ◽  
...  

Rapid measurement optical techniques have the advantage over traditional methods of being faster and non-destructive. In this work visible and near-infrared spectroscopy (vis-NIRS) was used to investigate differences between measured values of key milk properties (e.g. fat, protein and lactose) in 30 samples of ewes milk according to three feed systems; faba beans, field peas and control diet. A mobile fibre-optic vis-NIR spectrophotometer (350–2500 nm) was used to collect reflectance spectra from milk samples. Principal component analysis was used to explore differences between milk samples according to the feed supplied, and a partial least-squares regression and random forest regression were adopted to develop calibration models for the prediction of milk properties. Results of the principal component analysis showed clear separation between the three groups of milk samples according to the diet of the ewes throughout the lactation period. Milk fat, protein and lactose were predicted with good accuracy by means of partial least-squares regression (R2 = 0.70–0.83 and ratio of prediction deviation, which is the ratio of standard deviation to root mean square error of prediction = 1.85–2.44). However, the best prediction results were obtained with random forest regression models (R2 = 0.86–0.90; ratio of prediction deviation = 2.73–3.26). The adoption of the vis-NIRS coupled with multivariate modelling tools can be recommended for exploring to differences between milk samples according to different feed systems, and to predict key milk properties, based particularly on the random forest regression modelling technique.


2013 ◽  
Vol 834-836 ◽  
pp. 935-938
Author(s):  
Lian Shun Zhang ◽  
Chao Guo ◽  
Bao Quan Wang

In this paper, the liquor brands were identified based on the near infrared spectroscopy method and the principal component analysis. 60 samples of 6 different brands liquor were measured by the spectrometer of USB4000. Then, in order to eliminate the noise caused by the external factors, the smoothing method and the multiplicative scatter correction method were used. After the preprocessing, we got the revised spectra of the 60 samples. The difference of the spectrum shape of different brands is not much enough to classify them. So the principal component analysis was applied for further analysis. The results showed that the first two principal components variance contribution rate had reached 99.06%, which can effectively represent the information of the spectrums after preprocessing. From the scatter plot of the two principal components, the 6 different brands of liquor were identified more accurate and easier than the spectra curves.


2019 ◽  
Vol 27 (4) ◽  
pp. 286-292
Author(s):  
Chongchong She ◽  
Min Li ◽  
Yunhui Hou ◽  
Lizhen Chen ◽  
Jianlong Wang ◽  
...  

The solidification point is a key quality parameter for 2,4,6-trinitrotoluene (TNT). The traditional solidification point measurement method of TNT is complicated, dangerous, not environmentally friendly and time-consuming. Near infrared spectroscopy (NIR) analysis technology has been applied successfully in the chemical, petroleum, food, and agriculture sectors owing to its characteristics of fast analysis, no damage to the sample and online application. The purpose of this study was to study near infrared spectroscopy combined with chemometric methods to develop a fast and accurate quantitative analysis method for the solidification point of TNT. The model constructed using PLS regression was successful in predicting the solidification point of TNT ([Formula: see text] = 0.999, RMSECV = 0.19, RPDCa = 33.5, [Formula: see text] = 0.19, [Formula: see text] = 0.999). Principal component analysis shows that the model could identify samples from different reactors. The results clearly demonstrate that the solidification point can be measured in a short time by NIR spectroscopy without any pretreatment for the sample and skilled laboratory personnel.


2013 ◽  
Vol 781-784 ◽  
pp. 1464-1468
Author(s):  
Xiu Hua Liu ◽  
Xiao Ting Li ◽  
Jing Wang ◽  
Rui Ying Li ◽  
Guang Chen Wu ◽  
...  

In order to identify the authentic Pingli Gynostemma, a geographical indication products, diffuse reflectance spectroscopy of Gynostemma came from eight different origins were collected by the Fourier near-infrared spectrometer. The spectroscopy was analyzed with Chemometrics method, and the spectroscopy was pretreated by the vector normalization condition. The range of spectra was 4800-10096 cm-1. The Calibration models of Gynostemma were established by the principal component analysis, qualification testing and cluster analysis, respectively, and each model was verified. The results show that the optimal model established by the principal component analysis, qualification testing and cluster analysis can effectively identify authentic Pingli Gynostemma, and accuracy rate was 100%. In conclusion, Pingli Gynostemma can be identified accurately and quickly by the near-infrared spectroscopy technique.


2002 ◽  
Vol 82 (4) ◽  
pp. 413-422 ◽  
Author(s):  
P D Martin ◽  
D F Malley ◽  
G. Manning ◽  
L. Fuller

This study explored the use of near-infrared spectroscopy (NIRS) for the rapid analysis of organic C (Corg) and organic N (Norg) in the A horizon of soil within a single field. Soil was sampled throughout a field in Manitoba, Canada to capture soil variability associated with topography. The soil samples were oven-dried and treated with acid to remove carbonates, after which C and N were determined by dry combustion. In this study, portions of the dried soil samples not treated with acid were scanned with a near-infrared scanning spectrophotometer between 1100 and 2500 nm. Correlating the spectral and the chemical analytical data using multiple linear regression or principal component analysis/partial least squares regression gave useful correlations for Corg. Over the range of 0–40 mg g-1 Corg, NIR-predicted values explained 75–78% of the variance in the chemical results. Results were improved to 80% for calibrations developed for the 0–20 mg g-1 organic C range. Useful results were not obtained for Norg although the literature shows that total N in soil is predictable using NIRS. It is likely that the acid treatment altered the composition of the samples in an inconsistent manner such that the chemically analyzed samples and those scanned by NIRS were different from each other in Norg concentration or composition. Extrapolation of these Corg results to the landscape scale implies that NIRS has potential to be a suitable method for mapping C for the purposes of monitoring C sequestration. Key words: Near-infrared spectroscopy, soil, carbon, nitrogen, topography, soil monitoring


2014 ◽  
Vol 989-994 ◽  
pp. 4028-4031
Author(s):  
Yan Ping Pang ◽  
Kun Liu ◽  
Li Ya Xia ◽  
Shao Long Yu

In order to identify the Zherong Radix Pseudostellariae, a geographical indication products, diffuse reflectance spectroscopy of came from ten different origins were collected by the Fourier near-infrared spectrometer. The spectroscopy was analyzed with Chemometrics method,and the spectroscopy was pretreated by the second derivative, first derivation and minus a straight line condition. The range of spectra was 3996.1-7282.5 cm-1. The Calibration models of Radix Pseudostellariae were established by the qualification testing, principal component analysis, and cluster analysis respectively, and each model was verified. The results show that the optimal model established by the qualification testing, principal component analysis and cluster analysis can effectively identify authentic Zherong Radix Pseudostellariae , and accuracy rate was more than 97.5%. In conclusion, Zherong Radix Pseudostellariae can be identified accurately and quickly by the near-infrared spectroscopy technique.


2017 ◽  
Vol 25 (5) ◽  
pp. 324-329 ◽  
Author(s):  
Li Dan ◽  
Wu Yi-Hui

The aim of this research was to investigate the feasibility of Fourier transform near infrared spectroscopy combined with chemometric analysis to develop a rapid method for identification of different resin types which had been deemed similar by a preliminary visual examination. Principal component analysis was applied on spectral data to classify two types of epoxy resin samples and three types of phenolic resin samples. In this case, a total of two hundred and fifteen samples were used for the evaluation and validation of two types of epoxy resin samples (SY1342 and SY1346) and three types of phenolic resin samples (Y3567, Y2705 and Y2137). All were correctly differentiated by their respective models. Moreover, in the external validation, the prediction rate of samples correctly classified was also 100%. Such classifications are very important for the detection of adulterated samples and for quality control. Near infrared spectroscopy was shown to be a very reliable, accurate and useful tool to classify resin samples in a fast, clean and inexpensive way compared to classical analysis, and it will enable copper clad laminate manufacturers to detect and take early corrective actions that will ultimately save time and money while establishing a uniform quality.


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