Optimization of Wheat Protein Near-Infrared Calibration Model Based on SPXY

2013 ◽  
Vol 803 ◽  
pp. 122-126 ◽  
Author(s):  
Xiao Dong Mao ◽  
Lai Jun Sun ◽  
Gang Hao ◽  
Lu Lu Xu ◽  
Guang Yan Hui
Keyword(s):  
Spectral Data ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Calibration Model ◽  
Spectral Features ◽  
Mean Square ◽  
Wheat Protein ◽  
Least Squares Regression ◽  
Training Set ◽  
Real Samples

It is very crucial that arepresentative training set can be extracted from a pool of real samples. Inthis paper, a representative set of correction samples of wheat protein contentis selected by using SPXY algorithm firstly; Secondly, the spectral data ispretreated to enhance spectral features; Thirdly, the model of wheat grainprotein is established by using partial least squares regression. The resultsshow that the model established by the calibration set selected by SPXY isbetter than the model established by the calibration set selected randomly.Root mean square error of prediction(RMSEP) and prediction correlationcoefficient(R) are 0.41094 and 0.97705 respectively, which are similar to themodel established by the initial calibration set.

scholarly journals The application of NIR spectroscopy in moisture determining of vegetable seeds

2020 ◽  
Vol 38 (No. 2) ◽  
pp. 131-136
Author(s):  
Wojciech Poćwiardowski ◽  
Joanna Szulc ◽  
Grażyna Gozdecka
Keyword(s):  
Experimental Data ◽  
Least Squares ◽  
Partial Least Squares ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Calibration Model ◽  
Least Squares Regression ◽  
Moisture Analysis ◽  
Non Destructive

The aim of the study was to elaborate a universal calibration for the near infrared (NIR) spectrophotometer to determine the moisture of various kinds of vegetable seeds. The research was conducted on the seeds of 5 types of vegetables – carrot, parsley, lettuce, radish and beetroot. For the spectra correlation with moisture values, the method of partial least squares regression (PLS) was used. The resulting qualitative indicators of a calibration model (R = 0.9968, Q = 0.8904) confirmed an excellent fit of the obtained calibration to the experimental data. As a result of the study, the possibilities of creating a calibration model for NIR spectrophotometer for non-destructive moisture analysis of various kinds of vegetable seeds was confirmed.<br /><br />

scholarly journals Detection of deltamethrin in cabbages using visible shortwave near-infrared spectroscopy

Food Research ◽  
2021 ◽  
Vol 5 (3) ◽  
pp. 273-280
Author(s):  
C.D.M. Ishkandar ◽  
N.M. Nawi ◽  
R. Janius ◽  
N. Mazlan ◽  
T.T. Lin
Keyword(s):  
Infrared Spectroscopy ◽  
Root Mean Square Error ◽  
Spectral Data ◽  
Mean Square Error ◽  
Root Mean Square ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Partial Least Square ◽  
Calibration Model ◽  
Mean Square

Pesticides have long been used in the cabbage industry to control pest infestation. This study investigated the potential application of low-cost and portable visible shortwave near-infrared spectroscopy for the detection of deltamethrin residue in cabbages. A total of sixty organic cabbage samples were used. The sample was divided into four batches, three batches were sprayed with deltamethrin pesticide whereas the remaining batch was not sprayed (control sample). The first three batches of the cabbages were sprayed with the pesticide at three different concentrations, namely low, medium and high with the values of 0.08, 0.11 and 0.14% volume/volume (v/v), respectively. Spectral data of the cabbage samples were collected using visible shortwave near-infrared (VSNIR) spectrometer with wavelengths range between 200 and 1100 nm. Gas chromatography-electron capture detector (GC-ECD) was used to determine the concentration of deltamethrin residues in the cabbages. Partial least square (PLS) regression method was adopted to investigate the relationship between the spectral data and deltamethrin concentration values. The calibration model produced the values of coefficient of determination (R2 ) and the root mean square error of calibration (RMSEC) of 0.98 and 0.02, respectively. For the prediction model, the values of R2 and the root mean square error of prediction (RMSEP) were 0.94 and 0.04, respectively. These results demonstrated that the proposed spectroscopic measurement is a promising technique for the detection of pesticide at different concentrations in cabbage samples.

scholarly journals Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate

2015 ◽  
Vol 2015 ◽  
pp. 1-7
Author(s):  
Wei Zhang ◽  
Hang Song ◽  
Jing Lu ◽  
Wen Liu ◽  
Lirong Nie ◽  
...  
Keyword(s):  
Root Mean Square Error ◽  
Least Squares ◽  
Partial Least Squares ◽  
Mean Square Error ◽  
Root Mean Square ◽  
Partial Least Squares Regression ◽  
Synthesis Process ◽  
Calibration Model ◽  
Mean Square ◽  
Least Squares Regression

Online near-infrared spectroscopy was used as a process analysis technique in the synthesis of 2-chloropropionate for the first time. Then, the partial least squares regression (PLSR) quantitative model of the product solution concentration was established and optimized. Correlation coefficient (R2) of partial least squares regression (PLSR) calibration model was 0.9944, and the root mean square error of correction (RMSEC) was 0.018105 mol/L. These values of PLSR and RMSEC could prove that the quantitative calibration model had good performance. Moreover, the root mean square error of prediction (RMSEP) of validation set was 0.036429 mol/L. The results were very similar to those of offline gas chromatographic analysis, which could prove the method was valid.

Prediction of Water Activity in Mamón (Filipino sponge) Cakes by near Infrared Hyperspectral Imaging

2020 ◽  
Vol 862 ◽  
pp. 7-11
Author(s):  
Manunchaya Sricharoonratana ◽  
Sontisuk Teerachaichayut
Keyword(s):  
Hyperspectral Imaging ◽  
Water Activity ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
The Philippines ◽  
Activity Measurement ◽  
Calibration Model ◽  
Least Squares Regression ◽  
Physical And Chemical ◽  
Non Destructive

Water activity in foods can result in detrimental microbial activity during storage. The usual methods of water activity measurement involve destruction of the sample. Near infrared (NIR) hyperspectral imaging has previously been successfully used as a non-destructive method to determine various physical and chemical characteristics of a variety of foods. Therefore, this method was tested to determine whether it could be used to measure water activity of mamón cakes, a popular sponge cake developed in the Philippines. Individual samples (n = 178) were divided into a calibration set (n=119) and a prediction set (n=59). These samples were tested using NIR hyperspectral imaging (935-1720 nm) with a smoothing spectral pretreatment selected for developing the calibration model. Partial least squares regression was used to establish the model in order to predict the water activity. The results showed the accuracy of the calibration model in prediction that gave a correlation coefficient of 0.767 and the root mean square error of prediction of 0.0130. It was therefore concluded that NIR hyperspectral imaging has a potential for use and application for measuring the water activity of mamón cakes.

Developing and testing a new quantitative near infrared spectroscopy online tracking measuring system for soil detection during automatic dishwashing

2021 ◽  
pp. 096703352110066
Author(s):  
Johannes Richter ◽  
Arnd Kessler ◽  
Thomas Weber ◽  
Heinz Heißler ◽  
Michaela Gerstenlauer ◽  
...  
Keyword(s):  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Egg Yolk ◽  
Measuring System ◽  
Calibration Model ◽  
Least Squares Regression ◽  
Automatic Dishwashing ◽  
Soil Component ◽  
Online Tracking ◽  
Soil Components

Near infrared (NIR) measurements have been used for several years to examine the processes taking place in the dishwasher during dishwashing. It is possible to differentiate between the soil components butterfat, oatmeal and egg-yolk and to determine their concentration in the dishwashing liquor quantitatively. Consequently, time-consuming dishwashing tests can be avoided by weighing the dishes. However, this method is also based on a small number of NIR measurements which are carried out intrusively during the dishwashing process, i.e. outside the dishwasher. These few NIR measurements make it difficult to investigate the dynamics of a dishwashing process. In this study, the development, testing and usage of a new online tracking measuring system is presented. The latter was used to perform 38 dishwashing processes, each containing 51 NIR spectra, to develop a calibration model using the partial least squares regression method with cross-validation. This new online tracking measuring system, based on the calibration, can determine the concentrations of three different soil components in the dishwashing liquor during automatic dishwashing. By recording the 51 spectra, it is possible to display a tracking curve for each soil component, i.e. the concentration courses of the dishwashing process over time. This results in a significantly better time resolution and it was possible to investigate the first dynamic part of the tracking curve, i.e. the beginning of the dishwashing process. This could lead to the opportunity to change the state of the dishwasher depending on the concentrations detected in the first step and, secondly, to a more environmentally friendly and cost-reducing dishwashing process.

Estimation of soil organic matter using proximal and satellite sensors after a wildfire in Mediterranean Croatia

2021 ◽  
Author(s):  
Iva Hrelja ◽  
Ivana Šestak ◽  
Igor Bogunović
Keyword(s):  
Organic Matter ◽  
Soil Organic Matter ◽  
Spectral Data ◽  
Near Infrared ◽  
Mean Squared Error ◽  
Nir Spectroscopy ◽  
Soil Samples ◽  
Least Squares Regression ◽  
Macro Scale ◽  
Sentinel 2

&lt;p&gt;Spectral data obtained from optical spaceborne sensors are being recognized as a valuable source of data that show promising results in assessing soil properties on medium and macro scale. Combining this technique with laboratory Visible-Near Infrared (VIS-NIR) spectroscopy methods can be an effective approach to perform robust research on plot scale to determine wildfire impact on soil organic matter (SOM) immediately after the fire. Therefore, the objective of this study was to assess the ability of Sentinel-2 superspectral data in estimating post-fire SOM content and comparison with the results acquired with laboratory VIS-NIR spectroscopy.&lt;/p&gt;&lt;p&gt;The study is performed in Mediterranean Croatia (44&amp;#176; 05&amp;#8217; N; 15&amp;#176; 22&amp;#8217; E; 72 m a.s.l.), on approximately 15 ha of fire affected mixed &lt;em&gt;Quercus ssp.&lt;/em&gt; and &lt;em&gt;Juniperus ssp.&lt;/em&gt; forest on Cambisols. A total of 80 soil samples (0-5 cm depth) were collected and geolocated on August 22&lt;sup&gt;nd&lt;/sup&gt; 2019, two days after a medium to high severity wildfire. The samples were taken to the laboratory where soil organic carbon (SOC) content was determined via dry combustion method with a CHNS analyzer. SOM was subsequently calculated by using a conversion factor of 1.724. Laboratory soil spectral measurements were carried out using a portable spectroradiometer (350-1050 nm) on all collected soil samples. Two Sentinel-2 images were downloaded from ESAs Scientific Open Access Hub according to the closest dates of field sampling, namely August 31&lt;sup&gt;st&lt;/sup&gt; and September 5&lt;sup&gt;th &lt;/sup&gt;2019, each containing eight VIS-NIR and two SWIR (Short-Wave Infrared) bands which were extracted from bare soil pixels using SNAP software. Partial least squares regression (PLSR) model based on the pre-processed spectral data was used for SOM estimation on both datasets. Spectral reflectance data were used as predictors and SOM content was used as a response variable. The accuracy of the models was determined via Root Mean Squared Error of Prediction (RMSE&lt;sub&gt;p&lt;/sub&gt;) and Ratio of Performance to Deviation (RPD) after full cross-validation of the calibration datasets.&lt;/p&gt;&lt;p&gt;The average post-fire SOM content was 9.63%, ranging from 5.46% minimum to 23.89% maximum. Models obtained from both datasets showed low RMSE&lt;sub&gt;p &lt;/sub&gt;(Spectroscopy dataset RMSE&lt;sub&gt;p&lt;/sub&gt; = 1.91; Sentinel-2 dataset RMSE&lt;sub&gt;p&lt;/sub&gt; = 0.99). RPD values indicated very good predictions for both datasets (Spectrospcopy dataset RPD = 2.72; Sentinel-2 dataset RPD = 2.22). Laboratory spectroscopy method with higher spectral resolution provided more accurate results. Nonetheless, spaceborne method also showed promising results in the analysis and monitoring of SOM in post-burn period.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Keywords:&lt;/strong&gt; remote sensing, soil spectroscopy, wildfires, soil organic matter&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Acknowledgment: &lt;/strong&gt;This work was supported by the Croatian Science Foundation through the project &quot;Soil erosion and degradation in Croatia&quot; (UIP-2017-05-7834) (SEDCRO). Aleksandra Per&amp;#269;in is acknowledged for her cooperation during the laboratory work.&lt;/p&gt;

Application of visible and near-infrared spectroscopy for evaluation of ewes milk with different feeds

2019 ◽  
Vol 59 (6) ◽  
pp. 1190 ◽  
Author(s):  
A. Bahri ◽  
S. Nawar ◽  
H. Selmi ◽  
M. Amraoui ◽  
H. Rouissi ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Infrared Spectroscopy ◽  
Random Forest ◽  
Near Infrared Spectroscopy ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Principal Component ◽  
Least Squares Regression ◽  
Random Forest Regression ◽  
Milk Samples

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.

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